cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25646/7716
title: Tagesdaten-CSV aus dem DIVI-Intensivregister

description: Die Tagesdaten-CSV entspricht einem Auszug der Daten des DIVI-Intensivregisters. Die Datei enthält eine Aggregation der aktuellsten Meldungen pro Landkreis. Es werden die aktuell gemeldeten Anzahlen der COVID-19 Intensivfälle sowie die gemeldeten intensivmedizinischen Behandlungskapazitäten angezeigt. Die Tagesdaten-CSV liefert dabei ausschließlich einen Blick auf die Daten gemäß dem Stand des betrachteten Tages. Die Daten sind im situationsbedingten Kontext aufbereitet, damit sind verschiedene Tagesdaten-CSVs u.U. nicht direkt miteinander vergleichbar. Die aktuellsten Meldungen werden im gewählten Betrachtungszeitfenster über alle Meldebereiche und Standorte aufsummiert. Weitere Informationen sind zu finden unter https://www.intensivregister.de/#/faq
DOI: 10.25824/redu/rxfsyo
title: E.6 - CÁLCULO PRECISÃO TOTAL.tab
DOI: 10.5281/zenodo.4304961
title: Example BOUT++ output from hasegawa-wakatani

description: Output files for the hasegawa-wakatani example from BOUT++ (https://github.com/boutproject/BOUT-dev/tree/next/examples/hasegawa-wakatani). Created with BOUT++ at commit 999793fe363e062fd47da20bcd8ff679c85a8b30.
DOI: 10.5281/zenodo.4304960
title: Example BOUT++ output from hasegawa-wakatani

description: Output files for the hasegawa-wakatani example from BOUT++ (https://github.com/boutproject/BOUT-dev/tree/next/examples/hasegawa-wakatani). Created with BOUT++ at commit 999793fe363e062fd47da20bcd8ff679c85a8b30.
DOI: 10.25824/redu/tsec3w
title: E.5 - TRFs CRIME VERIFICAÇÃO TESTE INDEPENDENTE.tab
DOI: 10.25824/redu/glpg4l
title: E.4 - STJ CRIME VERIFICAÇÃO TESTE INDEPENDENTE.tab
DOI: 10.18112/openneuro.ds003419.v1.0.0
title: Two weeks Running Reduces Depressive Symptoms and Increases Hippocampal Volume in Young Adults
DOI: 10.25824/redu/fh32pa
title: E.3 - DETALHAMENTO DOS 3 CLASSIFICADORES.tab
DOI: 10.15468/gqmhvd
title: A revision of the Neotropical genus Metasiphonella Duda, 1930 (Diptera Chloropidae)

description: This dataset contains the digitized treatments in Plazi based on the original journal article Riccardi, Paula Raile, Bazyar, Zeinab, Ismay, Barbara (2020): A revision of the Neotropical genus Metasiphonella Duda, 1930 (Diptera Chloropidae). Zootaxa 4885 (3): 437-446, DOI: https://doi.org/10.11646/zootaxa.4885.3.7
DOI: 10.25824/redu/1dqtr3
title: E.2 - COMPARAÇÃO DE ETAPAS.tab
DOI: 10.25824/redu/shsqbk
title: E.1 - COMPARAÇÃO DOS CLASSIFICADORES.tab
DOI: 10.25824/redu/hlrppd
title: D.4 - ETAPAS CALSSES X INSTÂNCIAS (AMOSTRA REDUZIDA), TABELAS E ERROS.tab
DOI: 10.25824/redu/8sspa0
title: D.3 - TRFs J F DADOS PARA REGRESSÕES.tab
DOI: 10.25824/redu/6he2zy
title: D.2 - AMOSTRA DADOS IMPROBIDADE.xlsx
DOI: 10.25824/redu/eqq2au
title: D.1 - AMOSTRA DADOS CRIME.xlsx
DOI: 10.25824/redu/2bjtil
title: C.2 - REGRESSÃO LINEAR TOTAIS X CORRUPÇÃO.xlsx
DOI: 10.25824/redu/xwkwxw
title: C.1 - TABULAÇÕES POR TRIBUNAIS, MODALIDADES, CLASSES E ANOS.xlsx
DOI: 10.25824/redu/nd1wq3
title: B.7 - TRF5 - JULGADOS APÓS DEPURAÇÃO (BASE DE DADOS).xlsx
DOI: 10.18716/nmrshiftdb2/88452
title: NMR data for 2H-triazolo[4,5-d]pyrimidin-7-amine
DOI: 10.18716/nmrshiftdb2/88454
title: NMR data for 1-methyl-3,5-diphenylthiopyran 1-oxide
DOI: 10.18716/nmrshiftdb2/88455
title: NMR data for 3-(1,3-benzodioxol-5-yl)-5,7-dimethoxychromen-4-one
DOI: 10.18716/nmrshiftdb2/88453
title: NMR data for 7H-pyrrolo[2,3-d]pyrimidin-4-amine
DOI: 10.18716/nmrshiftdb2/88456
title: NMR data for InChI=1S/C15H14BrN3O/c1-19-7-5-13(20-19)15-14-11(4-6-17-15)10-3-2-9(16)8-12(10)18-14/h2-4,6,8,13,18H,5,7H2,1H3 (INChI), FJNATDQAXALGTR-UHFFFAOYSA-N (InChI Key), InChI=1/C15H14BrN3O/c1-19-7-5-13(20-19)15-14-11(4-6-17-15)10-3-2-9(16)8-12(10)18-14/h2-4,6,8,13,18H,5,7H2,1H3 (InChI with fixed H layer), Brc1ccc2c(c1)[nH]c3c2ccnc3C4ON(C)CC4 (SMILES)
DOI: 10.18716/nmrshiftdb2/88457
title: NMR data for 9H-pyrido[3,4-b]indole
DOI: 10.18716/nmrshiftdb2/88458
title: NMR data for 1-chloro-9H-pyrido[3,4-b]indole
DOI: 10.18716/nmrshiftdb2/88459
title: NMR data for InChI=1S/C11H16N2O5S/c1-13(9(7-14)11(15)18-2)19(16,17)10-6-4-3-5-8(10)12/h3-6,9,14H,7,12H2,1-2H3 (INChI), UJZLNKRDCYLAGF-UHFFFAOYSA-N (InChI Key), InChI=1/C11H16N2O5S/c1-13(9(7-14)11(15)18-2)19(16,17)10-6-4-3-5-8(10)12/h3-6,9,14H,7,12H2,1-2H3 (InChI with fixed H layer), O=C(OC)C(N(C)S(=O)(=O)c1ccccc1N)CO (SMILES)
DOI: 10.18716/nmrshiftdb2/88460
title: NMR data for methyl 2-[(2-aminophenyl)sulfonyl-methylamino]prop-2-enoate
DOI: 10.18716/nmrshiftdb2/88461
title: NMR data for InChI=1S/C11H14N2O4S/c1-13-9(11(14)17-2)7-12-8-5-3-4-6-10(8)18(13,15)16/h3-6,9,12H,7H2,1-2H3 (INChI), DUYHBJQBGBQTRX-UHFFFAOYSA-N (InChI Key), InChI=1/C11H14N2O4S/c1-13-9(11(14)17-2)7-12-8-5-3-4-6-10(8)18(13,15)16/h3-6,9,12H,7H2,1-2H3 (InChI with fixed H layer), O=C(OC)C1N(C)S(=O)(=O)c2ccccc2NC1 (SMILES)
DOI: 10.18716/nmrshiftdb2/88462
title: NMR data for InChI=1S/C18H20N2O4S/c1-19-16(18(21)24-2)13-20(12-14-8-4-3-5-9-14)15-10-6-7-11-17(15)25(19,22)23/h3-11,16H,12-13H2,1-2H3 (INChI), OPBARLMPIUDTIV-UHFFFAOYSA-N (InChI Key), InChI=1/C18H20N2O4S/c1-19-16(18(21)24-2)13-20(12-14-8-4-3-5-9-14)15-10-6-7-11-17(15)25(19,22)23/h3-11,16H,12-13H2,1-2H3 (InChI with fixed H layer), O=C(OC)C1N(C)S(=O)(=O)c2ccccc2N(Cc3ccccc3)C1 (SMILES)
DOI: 10.18716/nmrshiftdb2/88463
title: NMR data for InChI=1S/C12H17NO3S/c1-10-9-13(8-7-12(10)14)17(15,16)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3 (INChI), CTCCZMNIWXWYOY-UHFFFAOYSA-N (InChI Key), InChI=1/C12H17NO3S/c1-10-9-13(8-7-12(10)14)17(15,16)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3 (InChI with fixed H layer), O=S(=O)(c1ccccc1)N2CCC(O)C(C)C2 (SMILES)
DOI: 10.18716/nmrshiftdb2/88464
title: NMR data for ethyl 2-[(3S,4S)-1-(benzenesulfonyl)-4-hydroxypiperidin-3-yl]acetate
DOI: 10.18716/nmrshiftdb2/88465
title: NMR data for InChI=1S/C6H11NO4/c1-7(2)4(6(10)11)3-5(8)9/h4H,3H2,1-2H3,(H,8,9)(H,10,11) (INChI), AXWJKQDGIVWVEW-UHFFFAOYSA-N (InChI Key), InChI=1/C6H11NO4/c1-7(2)4(6(10)11)3-5(8)9/h4H,3H2,1-2H3,(H,8,9)(H,10,11)/f/h8,10H (InChI with fixed H layer), O=C(O)CC(C(=O)O)N(C)C (SMILES)
DOI: 10.18716/nmrshiftdb2/88466
title: NMR data for methyl 2,5-dimethyl-1-phenylimidazole-4-carboxylate
DOI: 10.18716/nmrshiftdb2/88469
title: NMR data for (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
DOI: 10.25824/redu/x0fdgw
title: B.6 - TRF4 - JULGADOS APÓS DEPURAÇÃO (BASE DE DADOS).xlsx
DOI: 10.6084/m9.figshare.13332815.v1
title: La Palma multi-dyke data

description: Geomechanical and geochronological data from samples of multiple-dykes on La Palma, Canary Islands, Spain.
DOI: 10.25824/redu/nbruks
title: B.5 - TRF3 - JULGADOS APÓS DEPURAÇÃO (BASE DE DADOS).xlsx
DOI: 10.25824/redu/tvzl29
title: B.4 - TRF2 - JULGADOS APÓS DEPURAÇÃO (BASE DE DADOS).xlsx
DOI: 10.6084/m9.figshare.13332815
title: La Palma multi-dyke data

description: Geomechanical and geochronological data from samples of multiple-dykes on La Palma, Canary Islands, Spain.
DOI: 10.6084/m9.figshare.13332815.v2
title: La Palma multi-dyke data

description: Geomechanical and geochronological data from samples of multiple-dykes on La Palma, Canary Islands, Spain.
DOI: 10.5281/zenodo.4305856
title: Example BOUT++ output from blob2d

description: Output files for the blob2d example from BOUT++ (https://github.com/boutproject/BOUT-dev/tree/next/examples/blob2d). Created with BOUT++ at commit 999793fe363e062fd47da20bcd8ff679c85a8b30.
DOI: 10.5281/zenodo.4305869
title: BSGatlas GFF3 file

description: The Bacillus Subtilis Genome atlas (BSGatlas) was obtained by integrating and curating existing annotation sources. The annotation is available as a genome browser hub and as a standardized GFF3 download. See: https://rth.dk/resources/bsgatlas/ <br> The browser enables a user to directly compare their experimental data with the annotation which was not directly possible beforehand. This doi contains the annotation GFF3 file and the genome sequence. For increased technical portability (the various genome browser tools), the genome sequence is referred to as "basu168", yet it is identical to the NCBI reference assembly "AL009126.3". The scripts that generated this annotation are under https://doi.org10.5281/zenodo.4305872
DOI: 10.5281/zenodo.4110129
title: BSGatlas GFF3 file

description: The Bacillus Subtilis Genome atlas (BSGatlas) was obtained by integrating and curating existing annotation sources. The annotation is available as a genome browser hub and as a standardized GFF3 download. See: https://rth.dk/resources/bsgatlas/ <br> The browser enables a user to directly compare their experimental data with the annotation which was not directly possible beforehand. This doi contains the annotation GFF3 file and the genome sequence. For increased technical portability (the various genome browser tools), the genome sequence is referred to as "basu168", yet it is identical to the NCBI reference assembly "AL009126.3". The scripts that generated this annotation are under https://doi.org10.5281/zenodo.4305872
DOI: 10.25824/redu/qkeqpk
title: Estudo Eleitoral Brasileiro_2014.tab

description: Base de dados _Survey nacional
DOI: 10.5281/zenodo.4305511
title: Heteroaggregation and Homoaggregation of Latex Particles in the Presence of Alkyl Sulfate Surfactants

description: The dataset for the publication "Heteroaggregation and Homoaggregation of Latex Particles in the Presence of Alkyl Sulfate Surfactants". DOI: 10.3390/colloids4040052. Files containing data have .dat extension and are in text format
DOI: 10.5281/zenodo.4305510
title: Heteroaggregation and Homoaggregation of Latex Particles in the Presence of Alkyl Sulfate Surfactants

description: The dataset for the publication "Heteroaggregation and Homoaggregation of Latex Particles in the Presence of Alkyl Sulfate Surfactants". DOI: 10.3390/colloids4040052. Files containing data have .dat extension and are in text format
DOI: 10.18716/nmrshiftdb2/88470
title: NMR data for 1-hydroxy-5-(4-methylphenyl)-2-propan-2-yl-4-(trifluoromethyl)imidazole
DOI: 10.18716/nmrshiftdb2/88472
title: NMR data for [2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]methanol
DOI: 10.25824/redu/qjvw62
title: Estudo Eleitoral Brasileiro_2014 _Questionario.pdf

description: questionario aplicado_ESEB2014
DOI: 10.18716/nmrshiftdb2/88471
title: NMR data for 1-benzylbenzimidazol-2-amine
DOI: 10.18716/nmrshiftdb2/88473
title: NMR data for methyl 2,5-dimethyl-1-(4-methylphenyl)imidazole-4-carboxylate
DOI: 10.18716/nmrshiftdb2/88474
title: NMR data for methyl 1-(4-methoxyphenyl)-2,5-dimethylimidazole-4-carboxylate
DOI: 10.18716/nmrshiftdb2/88475
title: NMR data for 2,6,6-trimethyl-1-phenyl-5,7-dihydrobenzimidazol-4-one
DOI: 10.18716/nmrshiftdb2/88476
title: NMR data for 4-(1H-benzimidazol-2-yl)-2-methyl-1H-pyrazol-3-one
DOI: 10.18716/nmrshiftdb2/88477
title: NMR data for InChI=1S/C20H16N4O/c21-10-11-22-15-9-8-14-18-12(15)4-3-5-13(18)19-23-16-6-1-2-7-17(16)24(19)20(14)25/h1-9,22H,10-11,21H2 (INChI), GXFSHTGJBHTVHO-UHFFFAOYSA-N (InChI Key), InChI=1/C20H16N4O/c21-10-11-22-15-9-8-14-18-12(15)4-3-5-13(18)19-23-16-6-1-2-7-17(16)24(19)20(14)25/h1-9,22H,10-11,21H2 (InChI with fixed H layer), O=C1c2ccc(NCCN)c3cccc(-c4nc5ccccc5n14)c23 (SMILES)
DOI: 10.18716/nmrshiftdb2/88478
title: NMR data for 4-(4-methylphenyl)-2-propan-2-yl-5-(trifluoromethyl)-1H-imidazole
DOI: 10.18716/nmrshiftdb2/88483
title: NMR data for [(2R,3R)-2-(1H-benzimidazol-2-yl)-3-methylthiolan-3-yl] acetate
DOI: 10.18716/nmrshiftdb2/88486
title: NMR data for ethyl 2-cyano-3-methyl-2-propan-2-ylbutanoate
DOI: 10.18716/nmrshiftdb2/88487
title: NMR data for InChI=1S/C13H16O/c14-13(10-5-2-1-3-6-10)11-7-4-8-12(13)9-11/h1-3,5-6,11-12,14H,4,7-9H2/t11-,12+,13- (INChI), OLBQVYMDACDPPU-CLLJXQQHSA-N (InChI Key), InChI=1/C13H16O/c14-13(10-5-2-1-3-6-10)11-7-4-8-12(13)9-11/h1-3,5-6,11-12,14H,4,7-9H2/t11-,12+,13- (InChI with fixed H layer), OC1(c2ccccc2)C3CCCC1C3 (SMILES), C1([H])=C([H])C([H])=C(C([H])=C1[H])C2(C3([H])C([H])([H])C([H])([H])C([H])([H])C2([H])C3([H])[H])O[H] (chiral SMILES)
DOI: 10.18716/nmrshiftdb2/88488
title: NMR data for [6-[2-(methylamino)phenyl]-1,3-benzodioxol-5-yl]methanol
DOI: 10.18716/nmrshiftdb2/88489
title: NMR data for 1-(1,3-benzodioxol-5-yl)-N,N-dimethylmethanamine
DOI: 10.18716/nmrshiftdb2/88490
title: NMR data for 3-(6-iodo-1,3-benzodioxol-5-yl)propan-1-ol
DOI: 10.18716/nmrshiftdb2/88491
title: NMR data for 2-(4-bromophenyl)-1-ethenylpyrrole
DOI: 10.18716/nmrshiftdb2/88492
title: NMR data for 1-ethenyl-2-ethylpyrrole
DOI: 10.18716/nmrshiftdb2/88493
title: NMR data for 1-ethenyl-2-ethyl-3-methylpyrrole
DOI: 10.18716/nmrshiftdb2/88494
title: NMR data for 2-tert-butyl-1-ethenylpyrrole
DOI: 10.18716/nmrshiftdb2/88495
title: NMR data for InChI=1S/C11H15N/c1-3-12-8-7-10-6-4-5-9(2)11(10)12/h3,7-9H,1,4-6H2,2H3 (INChI), CPKYSMGYYSHSSA-UHFFFAOYSA-N (InChI Key), InChI=1/C11H15N/c1-3-12-8-7-10-6-4-5-9(2)11(10)12/h3,7-9H,1,4-6H2,2H3 (InChI with fixed H layer), C=Cn1ccc2c1C(C)CCC2 (SMILES)
DOI: 10.18716/nmrshiftdb2/88496
title: NMR data for 1-ethenyl-3-methyl-2-phenylpyrrole
DOI: 10.18716/nmrshiftdb2/88497
title: NMR data for 1-ethenyl-2-(4-ethylphenyl)pyrrole
DOI: 10.18716/nmrshiftdb2/88498
title: NMR data for 9-prop-1-en-2-ylcarbazole
DOI: 10.18716/nmrshiftdb2/88499
title: NMR data for 1-ethenyl-2-(4-methoxyphenyl)pyrrole
DOI: 10.18716/nmrshiftdb2/88752
title: NMR data for 3-ethenyl-2,2-diphenylpent-4-enenitrile
DOI: 10.18716/nmrshiftdb2/88753
title: NMR data for 3-oxo-2,2,3-triphenylpropanenitrile
DOI: 10.18716/nmrshiftdb2/88754
title: NMR data for 1-(2-iodo-3-methylphenyl)ethanone
DOI: 10.18716/nmrshiftdb2/88755
title: NMR data for 1-(3-ethyl-2-iodophenyl)ethanone
DOI: 10.18716/nmrshiftdb2/88756
title: NMR data for 1-(2-iodo-3-propan-2-ylphenyl)ethanone
DOI: 10.18716/nmrshiftdb2/88758
title: NMR data for InChI=1S/C10H13IO/c1-3-8-5-4-6-9(7(2)12)10(8)11/h4-7,12H,3H2,1-2H3 (INChI), RZYIJPZSOCMDAV-UHFFFAOYSA-N (InChI Key), InChI=1/C10H13IO/c1-3-8-5-4-6-9(7(2)12)10(8)11/h4-7,12H,3H2,1-2H3 (InChI with fixed H layer), Ic1c(cccc1C(O)C)CC (SMILES)
DOI: 10.18716/nmrshiftdb2/88757
title: NMR data for InChI=1S/C9H11IO/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5,7,11H,1-2H3 (INChI), BRHIOCDGIQAQQQ-UHFFFAOYSA-N (InChI Key), InChI=1/C9H11IO/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5,7,11H,1-2H3 (InChI with fixed H layer), Ic1c(cccc1C(O)C)C (SMILES)
DOI: 10.18716/nmrshiftdb2/88759
title: NMR data for InChI=1S/C12H17IO2/c1-8(2)15-11-7-5-6-10(12(11)13)9(3)14-4/h5-9H,1-4H3 (INChI), NUTKPNMBUUVKND-UHFFFAOYSA-N (InChI Key), InChI=1/C12H17IO2/c1-8(2)15-11-7-5-6-10(12(11)13)9(3)14-4/h5-9H,1-4H3 (InChI with fixed H layer), Ic1c(OC(C)C)cccc1C(OC)C (SMILES)
DOI: 10.18716/nmrshiftdb2/88761
title: NMR data for InChI=1S/C11H11BrIN/c12-7-3-4-9(8-14)10-5-1-2-6-11(10)13/h1-2,5-6,9H,3-4,7H2 (INChI), VXBUWBJNIKMZME-UHFFFAOYSA-N (InChI Key), InChI=1/C11H11BrIN/c12-7-3-4-9(8-14)10-5-1-2-6-11(10)13/h1-2,5-6,9H,3-4,7H2 (InChI with fixed H layer), N#CC(c1ccccc1I)CCCBr (SMILES)
DOI: 10.18716/nmrshiftdb2/88760
title: NMR data for InChI=1S/C9H11IO2/c1-6(12-2)7-4-3-5-8(11)9(7)10/h3-6,11H,1-2H3 (INChI), IKTCZHDINLYDKM-UHFFFAOYSA-N (InChI Key), InChI=1/C9H11IO2/c1-6(12-2)7-4-3-5-8(11)9(7)10/h3-6,11H,1-2H3 (InChI with fixed H layer), Ic1c(O)cccc1C(OC)C (SMILES)
DOI: 10.18716/nmrshiftdb2/88762
title: NMR data for (E)-1-chloroprop-1-ene
DOI: 10.18716/nmrshiftdb2/88763
title: NMR data for 3-hydroxy-7-nitro-1H-benzimidazol-2-one
DOI: 10.18716/nmrshiftdb2/88764
title: NMR data for 2-[(2-chlorophenyl)methyl]-1,3-dimethylbenzene
DOI: 10.18716/nmrshiftdb2/88765
title: NMR data for 1-chloro-2-[(2-methylphenyl)methyl]benzene
DOI: 10.18716/nmrshiftdb2/88768
title: NMR data for 1,3,5-trichloro-2-phenylbenzene
DOI: 10.18716/nmrshiftdb2/88769
title: NMR data for InChI=1S/C13H14O2S/c1-9(14)13-11(15)8-12(16(13)2)10-6-4-3-5-7-10/h3-7,12H,8H2,1-2H3 (INChI), ZBYPMLIYUKRHFH-UHFFFAOYSA-N (InChI Key), InChI=1/C13H14O2S/c1-9(14)13-11(15)8-12(16(13)2)10-6-4-3-5-7-10/h3-7,12H,8H2,1-2H3 (InChI with fixed H layer), O=C(C=1C(=O)CC(c2ccccc2)S1C)C (SMILES)
DOI: 10.18716/nmrshiftdb2/88766
title: NMR data for InChI=1S/C8H7ClO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2 (INChI), RTPJBMWUVSTBPC-UHFFFAOYSA-N (InChI Key), InChI=1/C8H7ClO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2 (InChI with fixed H layer), Clc1ccccc1C2OC2 (SMILES)
DOI: 10.18716/nmrshiftdb2/88767
title: NMR data for InChI=1S/C9H9ClO2/c1-6(11)9(12)7-4-2-3-5-8(7)10/h2-5,9,12H,1H3 (INChI), NGQUVFMPEFHGRO-UHFFFAOYSA-N (InChI Key), InChI=1/C9H9ClO2/c1-6(11)9(12)7-4-2-3-5-8(7)10/h2-5,9,12H,1H3 (InChI with fixed H layer), O=C(C)C(O)c1ccccc1Cl (SMILES)
DOI: 10.18716/nmrshiftdb2/88771
title: NMR data for InChI=1S/C8H15.Na/c1-5-6-7-8(2,3)4;/h5-6H,1,7H2,2-4H3;/b6-5+; (INChI), UXZVUEYTSHEDHH-IPZCTEOASA-N (InChI Key), InChI=1/C8H15.Na/c1-5-6-7-8(2,3)4;/h5-6H,1,7H2,2-4H3;/b6-5+; (InChI with fixed H layer), [Na]CC=CCC(C)(C)C (SMILES), C([H])([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])=C([H])C([H])([H])[Na] (chiral SMILES)
DOI: 10.18716/nmrshiftdb2/88770
title: NMR data for 6-methyl-3-(5-oxo-2H-furan-3-yl)-1H-benzimidazol-2-one
DOI: 10.18716/nmrshiftdb2/88772
title: NMR data for (E)-5,5-dimethylhex-2-ene
DOI: 10.18716/nmrshiftdb2/88774
title: NMR data for InChI=1S/C15H14N2O5/c1-2-3-12(18)13-14(19)11(16-15(13)20)8-9-4-6-10(7-5-9)17(21)22/h4-8,19H,2-3H2,1H3,(H,16,20)/b11-8- (INChI), SHPZFWLGJIOAQP-FLIBITNWSA-N (InChI Key), InChI=1/C15H14N2O5/c1-2-3-12(18)13-14(19)11(16-15(13)20)8-9-4-6-10(7-5-9)17(21)22/h4-8,19H,2-3H2,1H3,(H,16,20)/b11-8-/f/h16H (InChI with fixed H layer), O=C1NC(=Cc2ccc(cc2)[N+](=O)[O-])C(O)=C1C(=O)CCC (SMILES), C([H])([H])([H])C([H])([H])C([H])([H])C(=O)C1=C(C(=C([H])C2=C([H])C([H])=C(C([H])=C2[H])[N+](=O)[O-])N([H])C1=O)O[H] (chiral SMILES)
DOI: 10.18716/nmrshiftdb2/88773
title: NMR data for InChI=1S/C8H15.Li/c1-5-6-7-8(2,3)4;/h5-6H,1,7H2,2-4H3;/b6-5+; (INChI), BLYQNQOUJDSJSI-IPZCTEOASA-N (InChI Key), InChI=1/C8H15.Li/c1-5-6-7-8(2,3)4;/h5-6H,1,7H2,2-4H3;/b6-5+; (InChI with fixed H layer), [Li]CC=CCC(C)(C)C (SMILES), C([H])([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])=C([H])C([H])([H])[Li] (chiral SMILES)
DOI: 10.18716/nmrshiftdb2/88775
title: NMR data for InChI=1S/C18H13NO3/c20-16-14(11-12-7-3-1-4-8-12)19-18(22)17(21)15(16)13-9-5-2-6-10-13/h1-11,21H,(H,19,22)/b14-11- (INChI), IAEAVZSAIVSWTP-KAMYIIQDSA-N (InChI Key), InChI=1/C18H13NO3/c20-16-14(11-12-7-3-1-4-8-12)19-18(22)17(21)15(16)13-9-5-2-6-10-13/h1-11,21H,(H,19,22)/b14-11-/f/h19H (InChI with fixed H layer), O=C1NC(=Cc2ccccc2)C(=O)C(c3ccccc3)=C1O (SMILES), C1([H])=C([H])C([H])=C(C([H])=C1[H])C([H])=C2C(=O)C(=C(C(=O)N2[H])O[H])C3=C([H])C([H])=C([H])C([H])=C3[H] (chiral SMILES)
DOI: 10.18716/nmrshiftdb2/88777
title: NMR data for 2-(dimethyl-$l^{4}-sulfanylidene)-1,3-diphenylpropane-1,3-dione
DOI: 10.18716/nmrshiftdb2/88778
title: NMR data for 1-[4-(dimethyl-$l^{4}-sulfanylidene)-3-oxobutyl]pyrrolidine-2,5-dione
DOI: 10.18716/nmrshiftdb2/88776
title: NMR data for 4-(1,3-benzoxazol-2-ylsulfanyl)-5-methyl-3-oxo-N-phenyl-1H-pyrazole-2-carboxamide
DOI: 10.18716/nmrshiftdb2/88780
title: NMR data for InChI=1S/C5H7O2/c1-4(6)3-5(2)7/h3H,1-2H3/q-1 (INChI), CUJRVFIICFDLGR-UHFFFAOYSA-N (InChI Key), InChI=1/C5H7O2/c1-4(6)3-5(2)7/h3H,1-2H3/q-1 (InChI with fixed H layer), O=C([CH-]C(=O)C)C (SMILES), C([H])([H])([H])C(=O)[C-]([H])C(=O)C([H])([H])[H] (chiral SMILES)
DOI: 10.18716/nmrshiftdb2/88779
title: NMR data for ethyl 2-(dimethyl-$l^{4}-sulfanylidene)-3-oxopent-4-enoate
DOI: 10.18716/nmrshiftdb2/88781
title: NMR data for heptane-3,5-dione
DOI: 10.18716/nmrshiftdb2/88782
title: NMR data for 6-methyl-1H-quinolin-2-one
DOI: 10.18716/nmrshiftdb2/88783
title: NMR data for InChI=1S/C12H14O4S/c1-12(2)8-10(16-11(12)13)17(14,15)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3 (INChI), YKDPAVXIZTYCIT-UHFFFAOYSA-N (InChI Key), InChI=1/C12H14O4S/c1-12(2)8-10(16-11(12)13)17(14,15)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3 (InChI with fixed H layer), O=C1OC(CC1(C)C)S(=O)(=O)c2ccccc2 (SMILES)
DOI: 10.18716/nmrshiftdb2/88785
title: NMR data for InChI=1S/C25H25N3O2/c1-25(2)12-20-23(21(29)13-25)22(19(14-26)24(27)28-20)17-8-10-18(11-9-17)30-15-16-6-4-3-5-7-16/h3-11,22,28H,12-13,15,27H2,1-2H3 (INChI), FHSRSGWJELTOBB-UHFFFAOYSA-N (InChI Key), InChI=1/C25H25N3O2/c1-25(2)12-20-23(21(29)13-25)22(19(14-26)24(27)28-20)17-8-10-18(11-9-17)30-15-16-6-4-3-5-7-16/h3-11,22,28H,12-13,15,27H2,1-2H3 (InChI with fixed H layer), N#CC1=C(N)NC2=C(C(=O)CC(C)(C)C2)C1c3ccc(OCc4ccccc4)cc3 (SMILES)
DOI: 10.18716/nmrshiftdb2/88786
title: NMR data for InChI=1S/C9H11BrO3S/c1-14(11,12)3-13-9-5(10)2-4-6-7(4)8(6)9/h2,4,6-9H,3H2,1H3/t4-,6?,7?,8+,9-/m0/s1 (INChI), WOKMGKSSMPSWRA-BIUROVPXSA-N (InChI Key), InChI=1/C9H11BrO3S/c1-14(11,12)3-13-9-5(10)2-4-6-7(4)8(6)9/h2,4,6-9H,3H2,1H3/t4-,6?,7?,8+,9-/m0/s1 (InChI with fixed H layer), O=S(=O)(C)COC1C(Br)=CC2C3C1C23 (SMILES), C([H])([H])([H])S(=O)(=O)C([H])([H])OC1([H])C(=C([H])C2([H])C3([H])C2([H])C31[H])Br (chiral SMILES)
DOI: 10.18716/nmrshiftdb2/88787
title: NMR data for N,N-dimethyl-1-[(2S,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methanamine
DOI: 10.18716/nmrshiftdb2/88788
title: NMR data for InChI=1S/C7H10N2O4S/c1-2-14(11,12)7-4-3-8-9-5(4)6(10)13-7/h4-5,7H,2-3H2,1H3 (INChI), DAWHZVIJJORUHN-UHFFFAOYSA-N (InChI Key), InChI=1/C7H10N2O4S/c1-2-14(11,12)7-4-3-8-9-5(4)6(10)13-7/h4-5,7H,2-3H2,1H3 (InChI with fixed H layer), O=C1OC(C2CN=NC12)S(=O)(=O)CC (SMILES)
DOI: 10.18716/nmrshiftdb2/88789
title: NMR data for InChI=1S/C10H14N2O6S/c1-3-17-8(13)6-5-7(12-11-6)9(14)18-10(5)19(15,16)4-2/h5,7,10,12H,3-4H2,1-2H3 (INChI), OPAKHWRNIFMSHA-UHFFFAOYSA-N (InChI Key), InChI=1/C10H14N2O6S/c1-3-17-8(13)6-5-7(12-11-6)9(14)18-10(5)19(15,16)4-2/h5,7,10,12H,3-4H2,1-2H3 (InChI with fixed H layer), O=C(OCC)C1=NNC2C(=O)OC(C12)S(=O)(=O)CC (SMILES)
DOI: 10.18716/nmrshiftdb2/88790
title: NMR data for methyl 2-[(2S,4S,6R)-6-(benzenesulfonyl)-4-methoxyoxan-2-yl]acetate
DOI: 10.18716/nmrshiftdb2/88792
title: NMR data for InChI=1S/C8H11Br/c1-3-5-6-7-8(9)4-2/h3,5,8H,4H2,1-2H3/b5-3- (INChI), GWHBEUBDJSDALE-HYXAFXHYSA-N (InChI Key), InChI=1/C8H11Br/c1-3-5-6-7-8(9)4-2/h3,5,8H,4H2,1-2H3/b5-3- (InChI with fixed H layer), BrC(C#CC=CC)CC (SMILES), C([H])([H])([H])C([H])=C([H])C#CC([H])(C([H])([H])C([H])([H])[H])Br (chiral SMILES)
DOI: 10.18716/nmrshiftdb2/88791
title: NMR data for trimethyl-[[(2S,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium
DOI: 10.18716/nmrshiftdb2/88793
title: NMR data for 3,3-dimethylpent-1-ynylbenzene
DOI: 10.18716/nmrshiftdb2/88794
title: NMR data for InChI=1S/C7H6Cl2/c8-3-1-2-4-5(2)6(4)7(3)9/h1-2,4-7H (INChI), LTKADGNATBGKMK-UHFFFAOYSA-N (InChI Key), InChI=1/C7H6Cl2/c8-3-1-2-4-5(2)6(4)7(3)9/h1-2,4-7H (InChI with fixed H layer), ClC1=CC2C3C(C1Cl)C23 (SMILES)
DOI: 10.18716/nmrshiftdb2/88795
title: NMR data for InChI=1S/C7H6ClF/c8-7-3(9)1-2-4-5(2)6(4)7/h1-2,4-7H (INChI), PYENTCMTAXVVJK-UHFFFAOYSA-N (InChI Key), InChI=1/C7H6ClF/c8-7-3(9)1-2-4-5(2)6(4)7/h1-2,4-7H (InChI with fixed H layer), FC1=CC2C3C(C1Cl)C23 (SMILES)
DOI: 10.18716/nmrshiftdb2/88798
title: NMR data for InChI=1S/C16H16O3S/c1-2-19-13-16(14-9-5-3-6-10-14)20(17,18)15-11-7-4-8-12-15/h3-13H,2H2,1H3/b16-13- (INChI), VRHSMBJMMCVSCS-SSZFMOIBSA-N (InChI Key), InChI=1/C16H16O3S/c1-2-19-13-16(14-9-5-3-6-10-14)20(17,18)15-11-7-4-8-12-15/h3-13H,2H2,1H3/b16-13- (InChI with fixed H layer), O=S(=O)(c1ccccc1)C(=COCC)c2ccccc2 (SMILES), C([H])([H])([H])C([H])([H])OC([H])=C(C1=C([H])C([H])=C([H])C([H])=C1[H])S(=O)(=O)C2=C([H])C([H])=C([H])C([H])=C2[H] (chiral SMILES)
DOI: 10.18716/nmrshiftdb2/88799
title: NMR data for 1-[(2-methylpropan-2-yl)oxy]ethenolate
DOI: 10.18716/nmrshiftdb2/88797
title: NMR data for InChI=1S/C8H9BrO4/c1-4(10)12-7-6(9)2-5-3-11-8(7)13-5/h2,5,7-8H,3H2,1H3 (INChI), PGDBKAOHSKLLMF-UHFFFAOYSA-N (InChI Key), InChI=1/C8H9BrO4/c1-4(10)12-7-6(9)2-5-3-11-8(7)13-5/h2,5,7-8H,3H2,1H3 (InChI with fixed H layer), O=C(OC1C(Br)=CC2OC1OC2)C (SMILES)
DOI: 10.18716/nmrshiftdb2/88796
title: NMR data for InChI=1S/C8H9BrO/c1-10-8-4(9)2-3-5-6(3)7(5)8/h2-3,5-8H,1H3 (INChI), PNTWGVKDJDSYEV-UHFFFAOYSA-N (InChI Key), InChI=1/C8H9BrO/c1-10-8-4(9)2-3-5-6(3)7(5)8/h2-3,5-8H,1H3 (InChI with fixed H layer), BrC1=CC2C3C(C1OC)C23 (SMILES)