cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.18716/nmrshiftdb2/90347
title: NMR data for InChI=1S/C6H15NO/c1-6(2,3)5(7)4-8/h5,8H,4,7H2,1-3H3 (INChI), JBULSURVMXPBNA-UHFFFAOYSA-N (InChI Key), InChI=1/C6H15NO/c1-6(2,3)5(7)4-8/h5,8H,4,7H2,1-3H3 (InChI with fixed H layer), OCC(N)C(C)(C)C (SMILES)
DOI: 10.18716/nmrshiftdb2/90353
title: NMR data for InChI=1S/C11H14N2O2/c1-10(2,3)11(15)7-5-4-6-12-8(7)13-9(11)14/h4-6,15H,1-3H3,(H,12,13,14) (INChI), HEMMFYILTPVECC-UHFFFAOYSA-N (InChI Key), InChI=1/C11H14N2O2/c1-10(2,3)11(15)7-5-4-6-12-8(7)13-9(11)14/h4-6,15H,1-3H3,(H,12,13,14)/f/h13H (InChI with fixed H layer), O=C1Nc2ncccc2C1(O)C(C)(C)C (SMILES)
DOI: 10.18716/nmrshiftdb2/90357
title: NMR data for InChI=1S/C14H16O6/c1-3-18-12(17)14(19-4-2)9-13(11(16)20-14)7-5-10(15)6-8-13/h5-8H,3-4,9H2,1-2H3 (INChI), GYUJSYGVVXYSAO-UHFFFAOYSA-N (InChI Key), InChI=1/C14H16O6/c1-3-18-12(17)14(19-4-2)9-13(11(16)20-14)7-5-10(15)6-8-13/h5-8H,3-4,9H2,1-2H3 (InChI with fixed H layer), O=C1C=CC2(C=C1)C(=O)OC(OCC)(C(=O)OCC)C2 (SMILES)
DOI: 10.18716/nmrshiftdb2/90360
title: NMR data for 1-[[chloro(dimethyl)silyl]methyl]-3-nitropyridin-2-one
DOI: 10.18716/nmrshiftdb2/90359
title: NMR data for 1,1-dimethoxy-2,6-diphenyl-4-propyl-1$l^{5}-phosphacyclohexa-1,3,5-triene
DOI: 10.18716/nmrshiftdb2/90363
title: NMR data for 2-chloro-1-(5-hydroxy-2,3-dihydroindol-1-yl)ethanone
DOI: 10.18716/nmrshiftdb2/90364
title: NMR data for 2-hydroxy-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone
DOI: 10.18716/nmrshiftdb2/90366
title: NMR data for 1-(5-methoxy-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone
DOI: 10.18716/nmrshiftdb2/90374
title: NMR data for 1-phenylindole
DOI: 10.18716/nmrshiftdb2/90368
title: NMR data for 1-(5-methoxy-2,3-dihydroindol-1-yl)-2,2-bis(methylsulfanyl)ethanone
DOI: 10.18716/nmrshiftdb2/90372
title: NMR data for 2-phenyl-1H-indole
DOI: 10.18716/nmrshiftdb2/90376
title: NMR data for InChI=1S/C11H10O5S/c1-16-11(13)10-6-8(12)7-4-2-3-5-9(7)17(10,14)15/h2-5,10H,6H2,1H3 (INChI), ZWNBBKWLZVCYEN-UHFFFAOYSA-N (InChI Key), InChI=1/C11H10O5S/c1-16-11(13)10-6-8(12)7-4-2-3-5-9(7)17(10,14)15/h2-5,10H,6H2,1H3 (InChI with fixed H layer), O=C(OC)C1CC(=O)c2ccccc2S1(=O)=O (SMILES)
DOI: 10.18716/nmrshiftdb2/90379
title: NMR data for ethyl 2-methyl-1H-indole-3-carboxylate
DOI: 10.18716/nmrshiftdb2/90377
title: NMR data for InChI=1S/C14H16O4S/c1-18-14(15)13(10-9-11-7-8-11)19(16,17)12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3 (INChI), WBQKLXGPNFLGRD-UHFFFAOYSA-N (InChI Key), InChI=1/C14H16O4S/c1-18-14(15)13(10-9-11-7-8-11)19(16,17)12-5-3-2-4-6-12/h2-6,9,13H,7-8,10H2,1H3 (InChI with fixed H layer), O=C(OC)C(CC=C1CC1)S(=O)(=O)c2ccccc2 (SMILES)
DOI: 10.18716/nmrshiftdb2/90380
title: NMR data for ethyl 2-amino-1H-indole-3-carboxylate
DOI: 10.18716/nmrshiftdb2/90381
title: NMR data for ethyl 2-(2-methyl-1H-indol-3-yl)-2-oxoacetate
DOI: 10.18716/nmrshiftdb2/90385
title: NMR data for InChI=1S/C7H9NO4/c1-5(9)12-6(2-3-8)4-7(10)11/h6H,2,4H2,1H3,(H,10,11) (INChI), DAQILPSHPRRCQP-UHFFFAOYSA-N (InChI Key), InChI=1/C7H9NO4/c1-5(9)12-6(2-3-8)4-7(10)11/h6H,2,4H2,1H3,(H,10,11)/f/h10H (InChI with fixed H layer), N#CCC(OC(=O)C)CC(=O)O (SMILES)
DOI: 10.18716/nmrshiftdb2/90384
title: NMR data for InChI=1S/C14H11NO3S/c16-13(11-4-2-1-3-5-11)15-12(14(17)18)8-10-6-7-19-9-10/h1-9H,(H,15,16)(H,17,18)/b12-8- (INChI), AYCUHUIYLRPDGZ-WQLSENKSSA-N (InChI Key), InChI=1/C14H11NO3S/c16-13(11-4-2-1-3-5-11)15-12(14(17)18)8-10-6-7-19-9-10/h1-9H,(H,15,16)(H,17,18)/b12-8-/f/h15,17H (InChI with fixed H layer), O=C(O)C(=Cc1cscc1)NC(=O)c2ccccc2 (SMILES), C1([H])=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])C(=C([H])C2=C([H])SC([H])=C2[H])C(=O)O[H] (chiral SMILES)
DOI: 10.18716/nmrshiftdb2/90386
title: NMR data for InChI=1S/C6H9NO3/c1-10-6(9)4-5(8)2-3-7/h5,8H,2,4H2,1H3 (INChI), SSIBSMAGWANLAQ-UHFFFAOYSA-N (InChI Key), InChI=1/C6H9NO3/c1-10-6(9)4-5(8)2-3-7/h5,8H,2,4H2,1H3 (InChI with fixed H layer), N#CCC(O)CC(=O)OC (SMILES)
DOI: 10.18716/nmrshiftdb2/90392
title: NMR data for 3-methyl-4-nitro-1-oxidopyridin-1-ium
DOI: 10.18716/nmrshiftdb2/90388
title: NMR data for N,N-dimethyl-1-oxidopyridin-1-ium-4-amine
DOI: 10.18716/nmrshiftdb2/90389
title: NMR data for N,N,2-trimethyl-1-oxidopyridin-1-ium-4-amine
DOI: 10.18716/nmrshiftdb2/90622
title: NMR data for N-(1-methylpiperidin-4-yl)-4-nitrobenzamide
DOI: 10.18716/nmrshiftdb2/90396
title: NMR data for 4-methyl-2-methylsulfanyl-8-nitro-5-oxo-1,4-benzothiazepine-3-carbonitrile
DOI: 10.18716/nmrshiftdb2/90623
title: NMR data for (4-nitrophenyl)-pyrrolidin-1-ylmethanone
DOI: 10.18716/nmrshiftdb2/90625
title: NMR data for N-tert-butyl-N-cyclohexyl-4-nitrobenzamide
DOI: 10.18716/nmrshiftdb2/90627
title: NMR data for 2-(7-nitro-4-oxo-2H-1,3-benzoxazin-3-yl)ethyl nitrate
DOI: 10.18716/nmrshiftdb2/90632
title: NMR data for ethyl 4-(5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
DOI: 10.18716/nmrshiftdb2/90633
title: NMR data for 1-fluoro-2-nitro-4-(trifluoromethyl)benzene
DOI: 10.18716/nmrshiftdb2/90630
title: NMR data for 7-nitro-3-phenyl-1H-quinazoline-2,4-dione
DOI: 10.18716/nmrshiftdb2/90636
title: NMR data for InChI=1S/C12H13NO3S/c1-3-16-12(15)7-4-5-9-8(6-7)10(17-2)11(14)13-9/h4-6,10H,3H2,1-2H3,(H,13,14) (INChI), QFXYNCRKFINQOG-UHFFFAOYSA-N (InChI Key), InChI=1/C12H13NO3S/c1-3-16-12(15)7-4-5-9-8(6-7)10(17-2)11(14)13-9/h4-6,10H,3H2,1-2H3,(H,13,14)/f/h13H (InChI with fixed H layer), O=C(OCC)c1ccc2NC(=O)C(SC)c2c1 (SMILES)
DOI: 10.18716/nmrshiftdb2/90637
title: NMR data for ethyl 2,3-dioxo-1H-indole-5-carboxylate
DOI: 10.18716/nmrshiftdb2/90640
title: NMR data for InChI=1S/C13H16O3/c1-9-6-7-16-13(9)10-4-5-11(14-2)12(8-10)15-3/h4-5,8,13H,1,6-7H2,2-3H3 (INChI), JSQXPCSPSIVGSP-UHFFFAOYSA-N (InChI Key), InChI=1/C13H16O3/c1-9-6-7-16-13(9)10-4-5-11(14-2)12(8-10)15-3/h4-5,8,13H,1,6-7H2,2-3H3 (InChI with fixed H layer), O(c1ccc(cc1OC)C2OCCC2=C)C (SMILES)
DOI: 10.18716/nmrshiftdb2/90649
title: NMR data for 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
DOI: 10.18716/nmrshiftdb2/90638
title: NMR data for InChI=1S/C12H15BrO3/c1-14-9-5-6-11(10(13)8-9)16-12-4-2-3-7-15-12/h5-6,8,12H,2-4,7H2,1H3 (INChI), PBSGLKCWQCRPMX-UHFFFAOYSA-N (InChI Key), InChI=1/C12H15BrO3/c1-14-9-5-6-11(10(13)8-9)16-12-4-2-3-7-15-12/h5-6,8,12H,2-4,7H2,1H3 (InChI with fixed H layer), Brc1cc(OC)ccc1OC2OCCCC2 (SMILES)
DOI: 10.18716/nmrshiftdb2/90647
title: NMR data for 3-phenoxybenzoic acid
DOI: 10.18716/nmrshiftdb2/90639
title: NMR data for 1-bromo-2-(2-iodoethyl)-4-methoxybenzene
DOI: 10.18716/nmrshiftdb2/90646
title: NMR data for dimethyl 2,6-diphenylpyran-4,4-dicarboxylate
DOI: 10.18716/nmrshiftdb2/90653
title: NMR data for 8-methylquinoline
DOI: 10.18716/nmrshiftdb2/90648
title: NMR data for 4-phenoxybenzoic acid
DOI: 10.18716/nmrshiftdb2/90650
title: NMR data for 4-benzoylbenzoic acid
DOI: 10.18716/nmrshiftdb2/90651
title: NMR data for 5-methyl-1-benzofuran
DOI: 10.18716/nmrshiftdb2/90657
title: NMR data for 6-chloroquinoline
DOI: 10.18716/nmrshiftdb2/90658
title: NMR data for 6-bromoquinoline
DOI: 10.18716/nmrshiftdb2/90663
title: NMR data for 7-bromo-4-phenylmethoxy-1H-indole
DOI: 10.18716/nmrshiftdb2/90659
title: NMR data for InChI=1S/C17H22O6S/c1-3-24-17-13(19)15(21-10(2)18)14-12(22-17)9-20-16(23-14)11-7-5-4-6-8-11/h4-8,12-17,19H,3,9H2,1-2H3/t12-,13-,14-,15-,16?,17+/m1/s1 (INChI), KIPIBHHYJWCRGL-NIPRFEQASA-N (InChI Key), InChI=1/C17H22O6S/c1-3-24-17-13(19)15(21-10(2)18)14-12(22-17)9-20-16(23-14)11-7-5-4-6-8-11/h4-8,12-17,19H,3,9H2,1-2H3/t12-,13-,14-,15-,16?,17+/m1/s1 (InChI with fixed H layer), O=C(OC1C(O)C(OC2COC(OC21)c3ccccc3)SCC)C (SMILES), C([H])([H])([H])C([H])([H])SC1([H])C([H])(C([H])(C2([H])C([H])(C([H])([H])OC([H])(C3=C([H])C([H])=C([H])C([H])=C3[H])O2)O1)OC(=O)C([H])([H])[H])O[H] (chiral SMILES)
DOI: 10.18716/nmrshiftdb2/90661
title: NMR data for 1-methylpyrrolo[1,2-a]pyrazine
DOI: 10.18716/nmrshiftdb2/90664
title: NMR data for 4,6-dimethyl-2,3-dihydro-1H-indene
DOI: 10.18716/nmrshiftdb2/90665
title: NMR data for 4,7-dimethyl-2,3-dihydro-1H-indene
DOI: 10.18716/nmrshiftdb2/90666
title: NMR data for 5,5-dimethyl-2H-isoindol-4-one
DOI: 10.18716/nmrshiftdb2/90671
title: NMR data for 2-tert-butyl-6,6-dimethyl-5,7-dihydro-1,3-benzoxaphosphol-4-one
DOI: 10.18716/nmrshiftdb2/90670
title: NMR data for 4,5-dimethoxy-2,3-dihydro-1H-indene
DOI: 10.18716/nmrshiftdb2/90672
title: NMR data for 2-tert-butyl-6,7-dihydro-5H-1,3-benzoxaphosphol-4-one
DOI: 10.18716/nmrshiftdb2/90673
title: NMR data for InChI=1S/C17H19O2P/c1-17(2,3)16-19-14-10-12(9-13(18)15(14)20-16)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3 (INChI), FKXKPUNAWFHQJH-UHFFFAOYSA-N (InChI Key), InChI=1/C17H19O2P/c1-17(2,3)16-19-14-10-12(9-13(18)15(14)20-16)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3 (InChI with fixed H layer), O=C1c2pc(oc2CC(c3ccccc3)C1)C(C)(C)C (SMILES)
DOI: 10.18716/nmrshiftdb2/90682
title: NMR data for 1,3-benzodioxol-2-one
DOI: 10.18716/nmrshiftdb2/90681
title: NMR data for InChI=1S/C10H12O/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-5,8H,6-7H2,1H3 (INChI), LPQYIGNYKIDLEY-UHFFFAOYSA-N (InChI Key), InChI=1/C10H12O/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-5,8H,6-7H2,1H3 (InChI with fixed H layer), O1c2ccccc2C(C)CC1 (SMILES)
DOI: 10.18716/nmrshiftdb2/90683
title: NMR data for chromene-4-thione
DOI: 10.18716/nmrshiftdb2/90685
title: NMR data for InChI=1S/C17H16O3/c1-3-7-15-13(5-1)14-6-2-4-8-16(14)20-12-17(11-19-15)9-18-10-17/h1-8H,9-12H2 (INChI), RLIINGVUKIFKMJ-UHFFFAOYSA-N (InChI Key), InChI=1/C17H16O3/c1-3-7-15-13(5-1)14-6-2-4-8-16(14)20-12-17(11-19-15)9-18-10-17/h1-8H,9-12H2 (InChI with fixed H layer), O1c2ccccc2-c3ccccc3OCC4(C1)COC4 (SMILES)
DOI: 10.18716/nmrshiftdb2/90686
title: NMR data for 2,3-dihydro-1-benzofuran
DOI: 10.18716/nmrshiftdb2/90688
title: NMR data for 3H-1-benzofuran-2-one
DOI: 10.18716/nmrshiftdb2/90691
title: NMR data for 7-methoxy-1-benzofuran-3-one
DOI: 10.18716/nmrshiftdb2/90698
title: NMR data for 1H-indole-5,6-diol
DOI: 10.18716/nmrshiftdb2/90693
title: NMR data for 4-iodo-2-methylaniline
DOI: 10.18716/nmrshiftdb2/90697
title: NMR data for 1-furo[3,2-b]pyrrol-4-ylethanone
DOI: 10.18716/nmrshiftdb2/90694
title: NMR data for (4R,5S)-4,5-diphenyl-1,3-oxazolidin-2-one
DOI: 10.18716/nmrshiftdb2/90695
title: NMR data for 2-(1,3-benzothiazol-2-ylsulfanyl)ethanol
DOI: 10.18716/nmrshiftdb2/90702
title: NMR data for 2-amino-1,3-benzothiazole-6-carbonitrile
DOI: 10.18716/nmrshiftdb2/90700
title: NMR data for 4-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)morpholine
DOI: 10.18716/nmrshiftdb2/90699
title: NMR data for N-ethyl-5-methyl-4-phenyl-1,3-thiazol-2-amine
DOI: 10.18716/nmrshiftdb2/90701
title: NMR data for 1-[2-(tert-butylamino)-5-phenyl-1,3-thiazol-4-yl]ethanone
DOI: 10.18716/nmrshiftdb2/90706
title: NMR data for N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
DOI: 10.18716/nmrshiftdb2/90711
title: NMR data for 2-methyl-6-nitro-1,3-benzothiazole
DOI: 10.18716/nmrshiftdb2/90713
title: NMR data for N-(1,3-benzothiazol-6-yl)acetamide
DOI: 10.18716/nmrshiftdb2/90712
title: NMR data for 1,3-benzothiazol-6-amine
DOI: 10.18716/nmrshiftdb2/90714
title: NMR data for 6-methyl-1,3-benzothiazole
DOI: 10.18716/nmrshiftdb2/90709
title: NMR data for 6-chloro-2-methyl-1,3-benzothiazole
DOI: 10.18716/nmrshiftdb2/90715
title: NMR data for 6-fluoro-1,3-benzothiazole
DOI: 10.18716/nmrshiftdb2/90719
title: NMR data for ethyl 1,3-benzothiazole-6-carboxylate
DOI: 10.18716/nmrshiftdb2/90716
title: NMR data for 6-bromo-1,3-benzothiazole
DOI: 10.18716/nmrshiftdb2/90727
title: NMR data for 2-methyl-1,3-benzothiazole-5-carbonitrile
DOI: 10.18716/nmrshiftdb2/90726
title: NMR data for 2-methyl-1,3-benzothiazole-5-carboxylic acid
DOI: 10.18716/nmrshiftdb2/90729
title: NMR data for 4-methyl-N-(thian-1-ylidene)benzenesulfonamide
DOI: 10.18716/nmrshiftdb2/90735
title: NMR data for 4-methyl-2-phenyltriazole
DOI: 10.18716/nmrshiftdb2/90730
title: NMR data for InChI=1S/C2H4ClOPS/c3-5-4-1-2-6-5/h1-2H2 (INChI), JHHPFWIJKNJFAA-UHFFFAOYSA-N (InChI Key), InChI=1/C2H4ClOPS/c3-5-4-1-2-6-5/h1-2H2 (InChI with fixed H layer), ClP1OCCS1 (SMILES)
DOI: 10.18716/nmrshiftdb2/90736
title: NMR data for trimethyl(pyrazol-1-yl)silane
DOI: 10.18716/nmrshiftdb2/90737
title: NMR data for N-phenylformamide
DOI: 10.18716/nmrshiftdb2/104834
title: NMR data for Halomon
DOI: 10.18716/nmrshiftdb2/105208
title: NMR data for Cyanthiwigins AG
DOI: 10.18716/nmrshiftdb2/10003239
title: NMR data for 3''-O-trans-Cinnamoyl-astilbin; Taxifolin-3-O-(3''-O-trans-cinnamoyl)--L-rhamnopyranoside
DOI: 10.18716/nmrshiftdb2/10003241
title: NMR data for Thelephantin C
DOI: 10.18716/nmrshiftdb2/10003240
title: NMR data for Methyl-1-acetoxy-7,14-dihydroxy-8,15-isopimaradien-18-oate
DOI: 10.18716/nmrshiftdb2/10003242
title: NMR data for 14-Hydroxy-1-dehydrotestosterone
DOI: 10.18716/nmrshiftdb2/10003367
title: NMR data for 3-Acetoxy-6,11-dihydroxy-16-methoxymethyl-6,20-epoxy-6,7-seco-ent-kaur-15-one-1,7-olide; Taibaijaponicain B
DOI: 10.18716/nmrshiftdb2/10003449
title: NMR data for 3-Hydroxy-8,13-dihydro-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one; 3-Hydroxyrutaecarpine
DOI: 10.18716/nmrshiftdb2/10003369
title: NMR data for 5,4',5''-Trihydroxy-7,7'',4'''-trimethoxy-[36'']-biflavone; Stephaflavone B
DOI: 10.18716/nmrshiftdb2/10003451
title: NMR data for 7-Chloro-(2R)-2-O--D-glucopyranosyl-2H-1,4-benzoxazin-3(4H)-one
DOI: 10.18716/nmrshiftdb2/10004121
title: NMR data for Casearvestrin A
DOI: 10.18716/nmrshiftdb2/10003579
title: NMR data for Camalexin
DOI: 10.18716/nmrshiftdb2/10004122
title: NMR data for 6-Isobutyryl-5,7-dimethoxy-2,2-dimethyl-benzopyran; 6-Isobutyryl-5,7-dimethoxy-2,2-dimethylbenzopyran
DOI: 10.18716/nmrshiftdb2/10004125
title: NMR data for 7-Hydroxy-2-methoxy-1,4-phenanthrenedione; Densiflorol B
DOI: 10.18716/nmrshiftdb2/10005600
title: NMR data for 1,2-Ethanediol; Ethylene glycol
DOI: 10.18716/nmrshiftdb2/10005614
title: NMR data for ERYTHRITOL (D)
DOI: 10.18716/nmrshiftdb2/10005613
title: NMR data for GLYCEROL
DOI: 10.18716/nmrshiftdb2/10005615
title: NMR data for PENTAERYTHRITOL
DOI: 10.18716/nmrshiftdb2/10005617
title: NMR data for GALACTITOL (D)
DOI: 10.18716/nmrshiftdb2/10003576
title: NMR data for 3,7-Dimethyl-8-hydroxy-6-methoxy-2-aza-anthraquinone; 5-Deoxy-7-methylbostrycoidin
DOI: 10.18716/nmrshiftdb2/10005620
title: NMR data for 1-IODO-ETHANE; ethyl iodide; Iodoethane
DOI: 10.18716/nmrshiftdb2/10005622
title: NMR data for 2-BROMO-PROPANE
DOI: 10.18716/nmrshiftdb2/10005624
title: NMR data for 1-CHLORO-PROPANE; n-propyl chloride
DOI: 10.18716/nmrshiftdb2/10005626
title: NMR data for 1-CHLORO-BUTANE
DOI: 10.18716/nmrshiftdb2/10005627
title: NMR data for 1-BROMO-BUTANE; butyl bromide
DOI: 10.18716/nmrshiftdb2/10005639
title: NMR data for STYRENE
DOI: 10.18716/nmrshiftdb2/10005641
title: NMR data for 1-ETHYL,2-ETHYNYL-BENZENE
DOI: 10.18716/nmrshiftdb2/10005642
title: NMR data for 1-ETHYNYL,2-ISOPROPYL-BENZENE
DOI: 10.18716/nmrshiftdb2/10005643
title: NMR data for 1-ETHYNYL,3-ISOPROPYL-BENZENE (3-ISOPROPYL-PHENYLACETYLENE)
DOI: 10.18716/nmrshiftdb2/10005647
title: NMR data for 3-FLUORO-BENZOIC ACID-NITRILE
DOI: 10.18716/nmrshiftdb2/10005663
title: NMR data for BENZENE,AMINO (ANILINE)
DOI: 10.18716/nmrshiftdb2/10005679
title: NMR data for BENZENE,NITRO
DOI: 10.18716/nmrshiftdb2/10005683
title: NMR data for 2-CHLORO-ANILINE
DOI: 10.18716/nmrshiftdb2/10005685
title: NMR data for 4-CHLORO-ANILINE
DOI: 10.18716/nmrshiftdb2/10005692
title: NMR data for BIPHENYL,4,4'-DIAMINO
DOI: 10.18716/nmrshiftdb2/10005696
title: NMR data for 1,3-DIAMINO-BENZENE
DOI: 10.18716/nmrshiftdb2/10005704
title: NMR data for benzylamine
DOI: 10.18716/nmrshiftdb2/10005706
title: NMR data for benzyl alcohol; phenylmethanol; TOLUENE,ALPHA-HYDROXY
DOI: 10.18716/nmrshiftdb2/10005707
title: NMR data for (DL)-HYDROXY,PHENYL-ACETIC ACID (MANDELIC ACID)
DOI: 10.18716/nmrshiftdb2/10005718
title: NMR data for CYCLOOCTANONE
DOI: 10.18716/nmrshiftdb2/10005723
title: NMR data for 1,6-HEXANE-DIOIC ACID; adipic acid
DOI: 10.18716/nmrshiftdb2/10005727
title: NMR data for AMINE,DIETHYL,2,2'-DIHYDROXY DIETHANOLAMINE
DOI: 10.18716/nmrshiftdb2/10005730
title: NMR data for DIPHENYL-HYDROXY-ACETIC ACID (BENZILIC ACID)
DOI: 10.5281/zenodo.4310110
title: Incorporating risk tolerance and socio-technical dynamics into models for future energy transitions

description: This Zenodo archive includes the TEMOA database files and SRT model used to produce the publication Cotterman et al.: "Incorporating risk tolerance and socio-technical dynamics into models for future energy transitions"
DOI: 10.18716/nmrshiftdb2/10005737
title: NMR data for BENZALDEHYDE
DOI: 10.18716/nmrshiftdb2/10005739
title: NMR data for 4-HYDROXY-BENZALDEHYDE
DOI: 10.18716/nmrshiftdb2/10005746
title: NMR data for CINNAMALDEHYDE (TRANS)
DOI: 10.18716/nmrshiftdb2/10005752
title: NMR data for 3-PHENYL-PROPAN-(1)-OL
DOI: 10.18716/nmrshiftdb2/10005766
title: NMR data for 4-HYDROXY-BIPHENYL
DOI: 10.18716/nmrshiftdb2/10005784
title: NMR data for NORBORNADIENE
DOI: 10.18716/nmrshiftdb2/10005788
title: NMR data for 2-PHENYL-ETHANOL
DOI: 10.18716/nmrshiftdb2/10005792
title: NMR data for 3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione
DOI: 10.18716/nmrshiftdb2/10005811
title: NMR data for BENZOIC ACID,BENZYL ESTER
DOI: 10.18716/nmrshiftdb2/10005841
title: NMR data for 1,4-HEXACHLORODIMETHYL-BENZENE
DOI: 10.18716/nmrshiftdb2/10005843
title: NMR data for PHENYL-ACETIC ACID
DOI: 10.18716/nmrshiftdb2/10005852
title: NMR data for AMINE,DIPHENYL,3-HYDROXY
DOI: 10.18716/nmrshiftdb2/10005853
title: NMR data for AMINE,DIPHENYL,4-HYDROXY
DOI: 10.18716/nmrshiftdb2/10005861
title: NMR data for 4-HYDROXY-BENZOIC ACID,NITRILE
DOI: 10.18716/nmrshiftdb2/10005868
title: NMR data for ALPHA,ALPHA-DICHLORO-TOLUENE
DOI: 10.18716/nmrshiftdb2/10005869
title: NMR data for TOLUENE,ALPHA-CHLORO
DOI: 10.18716/nmrshiftdb2/10005870
title: NMR data for BENZOIC ACID,CHLORIDE; Benzoyl chloride
DOI: 10.18716/nmrshiftdb2/10005885
title: NMR data for 4-PHENYL,3-THIO-SEMICARBAZIDE
DOI: 10.18716/nmrshiftdb2/10005887
title: NMR data for (1,2-DIBROMOETHYL)-BENZENE
DOI: 10.18716/nmrshiftdb2/10005889
title: NMR data for 2,3-DIHYDROXY-NAPHTHALENE
DOI: 10.18716/nmrshiftdb2/10005895
title: NMR data for 1,2-Diphenylethanedione; 1,2-ETHANEDIONE,1,2-DIPHENYL BENZIL; Benzil; Dibenzoyl; Diphenylethanedione; Diphenylglyoxal
DOI: 10.18716/nmrshiftdb2/10005925
title: NMR data for CYCLOPENTANE
DOI: 10.18716/nmrshiftdb2/10005927
title: NMR data for ACETIC ACID,CHLORO,NITRILE
DOI: 10.18716/nmrshiftdb2/10005928
title: NMR data for PROPANOIC ACID,3-CHLORO,CHLORIDE
DOI: 10.18716/nmrshiftdb2/10005935
title: NMR data for BENZTHIAZOLINE,2-ONE
DOI: 10.18716/nmrshiftdb2/10005947
title: NMR data for OCTADECANE,1-BROMO
DOI: 10.18716/nmrshiftdb2/10005958
title: NMR data for CYCLOPENTANE,CARBOXYLIC ACID
DOI: 10.18716/nmrshiftdb2/10005961
title: NMR data for NONANE,1-BROMO
DOI: 10.18716/nmrshiftdb2/10005962
title: NMR data for PROPANE,1-BROMO,3-CHLORO
DOI: 10.18716/nmrshiftdb2/10005985
title: NMR data for 2-OXAZOLIDONE,3-(2-CHLOROETHYL)
DOI: 10.18716/nmrshiftdb2/10006006
title: NMR data for 9H-carbazole
DOI: 10.18716/nmrshiftdb2/10006013
title: NMR data for CYCLOUNDECANONE
DOI: 10.18716/nmrshiftdb2/10006018
title: NMR data for BIPHENYL
DOI: 10.18716/nmrshiftdb2/10006030
title: NMR data for DODECANE,1-CHLORO
DOI: 10.18716/nmrshiftdb2/10006033
title: NMR data for BENZENE,1,3-DIHYDROXY RESORCINOL
DOI: 10.18716/nmrshiftdb2/10006053
title: NMR data for ADAMANTANE,1-CHLORO
DOI: 10.18716/nmrshiftdb2/10006052
title: NMR data for ADAMANTANE
DOI: 10.18716/nmrshiftdb2/10006054
title: NMR data for ADAMANTANE,1-BROMO
DOI: 10.18716/nmrshiftdb2/10006055
title: NMR data for ADAMANTANE,1-JODO
DOI: 10.18716/nmrshiftdb2/10006056
title: NMR data for ADAMANTANE,1-CYANO
DOI: 10.18716/nmrshiftdb2/10006058
title: NMR data for ADAMANTANE,TETRAMETHYL
DOI: 10.18716/nmrshiftdb2/10006060
title: NMR data for CYCLOHEXANE,1-CHLORO,1-NITROSO
DOI: 10.18716/nmrshiftdb2/10006083
title: NMR data for PENTANE,1,4-DIBROMO
DOI: 10.18716/nmrshiftdb2/10006085
title: NMR data for ETHANOL,2,2,2-TRICHLORO
DOI: 10.18716/nmrshiftdb2/10006111
title: NMR data for HEPTADECANE
DOI: 10.18716/nmrshiftdb2/10006114
title: NMR data for BENZALDEHYDE,4-CYANO MFC8 H5 N1 O1
DOI: 10.18716/nmrshiftdb2/10006119
title: NMR data for 1-DECENE MFC10 H20
DOI: 10.18716/nmrshiftdb2/10006146
title: NMR data for SULFIDE,DIPHENYL
DOI: 10.18716/nmrshiftdb2/10006159
title: NMR data for HOMOPURINE,2,6-BIS-(CHLOROSULFONYL),4,8-DIPIPERIDINO
DOI: 10.18716/nmrshiftdb2/10006179
title: NMR data for phtalimide; PHTHALIC ACID,IMIDE
DOI: 10.18716/nmrshiftdb2/10006180
title: NMR data for BETA-ALANINE,PHTHALOLYL
DOI: 10.18716/nmrshiftdb2/10006181
title: NMR data for PHTHALOYL GLYCINE
DOI: 10.18716/nmrshiftdb2/10006248
title: NMR data for GLYCINE,N-BENZYLOXYCARBONYL
DOI: 10.18716/nmrshiftdb2/10006273
title: NMR data for 1-chloro-3-fluorobenzene
DOI: 10.18716/nmrshiftdb2/10006275
title: NMR data for TOLUENE,ALPHA-NITRO
DOI: 10.18716/nmrshiftdb2/10006276
title: NMR data for SULFIDE,DIBENZYL
DOI: 10.18716/nmrshiftdb2/10006288
title: NMR data for BENZENE,4-CHLORO,1-CYANATO
DOI: 10.18716/nmrshiftdb2/10006291
title: NMR data for CYCLOPROPYL,ISOCYANATE
DOI: 10.18716/nmrshiftdb2/10006293
title: NMR data for PROPANOIC ACID,3-ISOCYANATO,CHLORIDE
DOI: 10.18716/nmrshiftdb2/10006294
title: NMR data for HEXANOIC ACID,6-ISOCYANATO,CHLORIDE
DOI: 10.18716/nmrshiftdb2/90731
title: NMR data for InChI=1S/C2H5O2PS/c3-5-4-1-2-6-5/h3H,1-2H2 (INChI), PEWMWDPMFBWXAB-UHFFFAOYSA-N (InChI Key), InChI=1/C2H5O2PS/c3-5-4-1-2-6-5/h3H,1-2H2 (InChI with fixed H layer), OP1OCCS1 (SMILES)
DOI: 10.18716/nmrshiftdb2/10006295
title: NMR data for HEXANE,1,6-DIISOCYANATE
DOI: 10.18716/nmrshiftdb2/90732
title: NMR data for InChI=1S/C4H7O3PS/c1-4(5)7-8-6-2-3-9-8/h2-3H2,1H3 (INChI), SMMRMMWQZTZANF-UHFFFAOYSA-N (InChI Key), InChI=1/C4H7O3PS/c1-4(5)7-8-6-2-3-9-8/h2-3H2,1H3 (InChI with fixed H layer), O=C(OP1OCCS1)C (SMILES)
DOI: 10.18716/nmrshiftdb2/10006296
title: NMR data for CYCLOHEXYL,ISOCYANATE
DOI: 10.18716/nmrshiftdb2/90734
title: NMR data for 2-phenyl-5,6-dihydro-4H-cyclopenta[d]triazole
DOI: 10.18716/nmrshiftdb2/90733
title: NMR data for InChI=1S/C12H18NOP/c1-11(2)13-9-6-10-14-15(13)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3 (INChI), BRFVIHYTGJZKEX-UHFFFAOYSA-N (InChI Key), InChI=1/C12H18NOP/c1-11(2)13-9-6-10-14-15(13)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3 (InChI with fixed H layer), O1P(c2ccccc2)N(CCC1)C(C)C (SMILES)
DOI: 10.18716/nmrshiftdb2/90738
title: NMR data for 4-methylpent-1-yn-3-one
DOI: 10.18716/nmrshiftdb2/10003365
title: NMR data for Quercetin 3-O--L-rhamnopyranosyl(16)-[-L-rhamnopyranosyl(12)]--D-galactopyranoside-7-O--L-rhamnopyranoside
DOI: 10.18716/nmrshiftdb2/104835
title: NMR data for Cyanthiwigins AE
DOI: 10.18716/nmrshiftdb2/10003244
title: NMR data for 20-Methoxy-4,17(20)E-pregnadiene-3,16-dione; Guggulsterone-M
DOI: 10.18716/nmrshiftdb2/10006298
title: NMR data for 4-CYCLOHEXENE,1-CARBOXYLIC ACID,CHLORIDE,CIS-2-ISOCYANATO
DOI: 10.18716/nmrshiftdb2/10003370
title: NMR data for 1,7-Di-(3',4'-dihydroxyphenyl)-4-hepten-3-one; Hirsutanone
DOI: 10.18716/nmrshiftdb2/10003245
title: NMR data for 1''-Acetylaporpinone B
DOI: 10.18716/nmrshiftdb2/10003450
title: NMR data for 7-Isopropenyl-2,3-dimethoxy-6-methyl-6-vinyl-5,6,7,8-tetrahydronaphthalene-1,4-dione; Heliotropinone A
DOI: 10.18716/nmrshiftdb2/10006303
title: NMR data for PROPANOIC ACID,2,3-DIBROMO
DOI: 10.18716/nmrshiftdb2/10003533
title: NMR data for Phomadecalin C
DOI: 10.18716/nmrshiftdb2/10006306
title: NMR data for BENZENE,1,2-DICHLORO
DOI: 10.18716/nmrshiftdb2/10003575
title: NMR data for 4-Hydroxypyridin-3-carboxylic acid 4-O-glucopyranoside
DOI: 10.18716/nmrshiftdb2/10003869
title: NMR data for 1-Acetoxy-9-benzoyloxy-2,6-dinicotinoyloxy--dihydroagarofuran; Heterophylline
DOI: 10.18716/nmrshiftdb2/10003578
title: NMR data for 15,16-Epoxy-12-oxo-8(17),13(16),14-ent-labdatrien-20,19-olide
DOI: 10.18716/nmrshiftdb2/10004123
title: NMR data for Cathayanon A
DOI: 10.18716/nmrshiftdb2/10003368
title: NMR data for 12-Hydroxyscillirosidin; 6-Acetoxy-3,8,12,14-tetrahydroxybufa-4,20,22-trienolide
DOI: 10.18716/nmrshiftdb2/10004247
title: NMR data for 1,3,4-Trideoxynojirimycin
DOI: 10.18716/nmrshiftdb2/10006311
title: NMR data for ETHANE,1,2-DIAMINO
DOI: 10.18716/nmrshiftdb2/10003534
title: NMR data for Teuvincenone C
DOI: 10.18716/nmrshiftdb2/10003577
title: NMR data for Lembyne-A
DOI: 10.18716/nmrshiftdb2/10004124
title: NMR data for 5-[2'-(3''-Hydroxy-5''-methoxyphenyl)-ethyl]-1,3-benzodioxole; Densiflorol A
DOI: 10.18716/nmrshiftdb2/10005465
title: NMR data for 2-Bromo-N,N,N,N-tetramethyl-benzene-1,4-diamin