cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/vykfrohbqsmafk-uhfffaoysa-n.1
title: C22H18O6
title: InChI=1S/C22H18O6/c23-11-17-10-20(14-3-7-16(8-4-14)22(27)28)18(12-24)9-19(17)13-1-5-15(6-2-13)21(25)26/h1-10,23-24H,11-12H2,(H,25,26)(H,27,28)

description: This dataset contains experimental data from a sample (InChI=1S/C22H18O6/c23-11-17-10-20(14-3-7-16(8-4-14)22(27)28)18(12-24)9-19(17)13-1-5-15(6-2-13)21(25)26/h1-10,23-24H,11-12H2,(H,25,26)(H,27,28)). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/vykfrohbqsmafk-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C22H18O6/c23-11-17-10-20(14-3-7-16(8-4-14)22(27)28)18(12-24)9-19(17)13-1-5-15(6-2-13)21(25)26/h1-10,23-24H,11-12H2,(H,25,26)(H,27,28)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DMSO-d6, ppm) δ = 13.05 (bs, 2H, CO2H), 8.04–8.02 (d, 4H, J = 8.0 Hz, CH), 7.59–7.57 (d, 4H, J = 8.0 Hz, CH), 7.48 (s, 2H, CH), 4.45 (s, 4H, CH2OH). Missing signals (2H, OH). Impurities: the spectrum contains several unknown impurities in the aromatic area of the spectrum.
DOI: 10.14272/vykfrohbqsmafk-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C22H18O6/c23-11-17-10-20(14-3-7-16(8-4-14)22(27)28)18(12-24)9-19(17)13-1-5-15(6-2-13)21(25)26/h1-10,23-24H,11-12H2,(H,25,26)(H,27,28)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, DMSO-d6, ppm) δ = 167.2 (2C, CO2H), 144.7 (2C, Cq), 138.6 (2C, Cq), 138.0 (2C, Cq), 129.6 (2C, Cq), 129.5 (2C, CH), 129.3 (4C, CH), 129.2 (4C, CH), 60.5 (2C, CH2OH). Impurities: the spectrum contains several unknown impurities in the aromatic area of the spectrum.
DOI: 10.14272/wikmlbbptjctjl-uhfffaoysa-n.1
title: C24H20N6O4
title: InChI=1S/C24H20N6O4/c1-33-23(31)17-7-9-21(19(11-17)13-27-29-25)15-3-5-16(6-4-15)22-10-8-18(24(32)34-2)12-20(22)14-28-30-26/h3-12H,13-14H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C24H20N6O4/c1-33-23(31)17-7-9-21(19(11-17)13-27-29-25)15-3-5-16(6-4-15)22-10-8-18(24(32)34-2)12-20(22)14-28-30-26/h3-12H,13-14H2,1-2H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/wikmlbbptjctjl-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C24H20N6O4/c1-33-23(31)17-7-9-21(19(11-17)13-27-29-25)15-3-5-16(6-4-15)22-10-8-18(24(32)34-2)12-20(22)14-28-30-26/h3-12H,13-14H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.16 (d, 2H, J = 1.5 Hz, CH), 8.09 (dd, 2H, J = 8.0 Hz, J = 1.5 Hz, CH), 7.46 (d, 2H, J = 8.0 Hz, CH), 7.45 (s, 4H, CH), 4.41 (s, 4H, ArCH2N3), 3.97 (s, 6H, CO2CH3). Impurities: the spectrum contains impurities.
DOI: 10.14272/wikmlbbptjctjl-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C24H20N6O4/c1-33-23(31)17-7-9-21(19(11-17)13-27-29-25)15-3-5-16(6-4-15)22-10-8-18(24(32)34-2)12-20(22)14-28-30-26/h3-12H,13-14H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C (125 MHz, CDCl3, ppm) δ = 166.6 (2C, CO2CH3), 146.1 (2C, Cq), 139.2 (2C, Cq), 133.5 (2C, Cq), 131.1 (2C, CH), 130.8 (2C, CH), 130.0 (2C, Cq), 129.7 (2C, CH), 129.2 (4C, CH), 52.6 (2C, CH2N3), 52.5 (2C, CO2CH3).
DOI: 10.14272/wikmlbbptjctjl-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C24H20N6O4/c1-33-23(31)17-7-9-21(19(11-17)13-27-29-25)15-3-5-16(6-4-15)22-10-8-18(24(32)34-2)12-20(22)14-28-30-26/h3-12H,13-14H2,1-2H3

description: dataset for mass spectrometry (MS) FAB (m/z): 457 [M + H]+, 456 [M]+. HRMS–FAB (m/z): [M + H]+ calcd for C24H21N6O4, 457.1619; found, 457.1623.
DOI: 10.14272/wikmlbbptjctjl-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C24H20N6O4/c1-33-23(31)17-7-9-21(19(11-17)13-27-29-25)15-3-5-16(6-4-15)22-10-8-18(24(32)34-2)12-20(22)14-28-30-26/h3-12H,13-14H2,1-2H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C24H21N6O4, 457.1619; found, 457.1623.
DOI: 10.14272/uqkgwismqzlmjv-uhfffaoysa-n.1
title: C22H18O6
title: InChI=1S/C22H18O6/c1-3-9-27-13-17-11-15(21(23)24)5-7-19(17)20-8-6-16(22(25)26)12-18(20)14-28-10-4-2/h1-2,5-8,11-12H,9-10,13-14H2,(H,23,24)(H,25,26)

description: This dataset contains experimental data from a sample (InChI=1S/C22H18O6/c1-3-9-27-13-17-11-15(21(23)24)5-7-19(17)20-8-6-16(22(25)26)12-18(20)14-28-10-4-2/h1-2,5-8,11-12H,9-10,13-14H2,(H,23,24)(H,25,26)). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/uqkgwismqzlmjv-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C22H18O6/c1-3-9-27-13-17-11-15(21(23)24)5-7-19(17)20-8-6-16(22(25)26)12-18(20)14-28-10-4-2/h1-2,5-8,11-12H,9-10,13-14H2,(H,23,24)(H,25,26)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, DMSO-d6, ppm) δ = 167.0 (2C, CO2H), 142.6 (2C, Cq), 135.9 (2C, Cq), 130.5 (2C, Cq), 129.6 (2C, CH), 129.2 (2C, CH), 128.3 (2C, CH), 79.8 (2C, OCH2C≡CH), 77.5 (2C, OCH2C≡CH), 68.1 (2C, ArCH2O), 57.2 (2C, OCH2C≡CH).
DOI: 10.14272/uqkgwismqzlmjv-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C22H18O6/c1-3-9-27-13-17-11-15(21(23)24)5-7-19(17)20-8-6-16(22(25)26)12-18(20)14-28-10-4-2/h1-2,5-8,11-12H,9-10,13-14H2,(H,23,24)(H,25,26)

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C22H18O6, 378.1103; found, 378.1095.
DOI: 10.14272/uqkgwismqzlmjv-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C22H18O6/c1-3-9-27-13-17-11-15(21(23)24)5-7-19(17)20-8-6-16(22(25)26)12-18(20)14-28-10-4-2/h1-2,5-8,11-12H,9-10,13-14H2,(H,23,24)(H,25,26)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DMSO-d6, ppm) δ = 13.11 (bs, 2H, CO2H), 8.09 (d, 2H, J = 1.5 Hz, CH), 7.93 (dd, 2H, J = 8.0 Hz, J = 1.5 Hz, CH), 7.29 (d, 2H, J = 8.0 Hz, CH), 4.27–4.21 (AB system, 4H, ArCH2O), 4.06 (d, 4H, J = 2.0 Hz, OCH2C≡CH), 3.36 (t, 2H, J = 2.0 Hz, OCH2C≡CH).
DOI: 10.14272/uqkgwismqzlmjv-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C22H18O6/c1-3-9-27-13-17-11-15(21(23)24)5-7-19(17)20-8-6-16(22(25)26)12-18(20)14-28-10-4-2/h1-2,5-8,11-12H,9-10,13-14H2,(H,23,24)(H,25,26)

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 140 °C): 378 (56) [M]+, 69 (100) [CH2OCH2C≡CH]+. HRMS–EI (m/z): [M]+ calcd for C22H18O6, 378.1103; found, 378.1095.
DOI: 10.14272/gpmrcrxjswelfy-owojbtedsa-n.1
title: 2,2'-diazidostilbene-44'-dicarboxylic acid
title: InChI=1S/C16H10N6O4/c17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18/h1-8H,(H,23,24)(H,25,26)/b2-1+

description: This dataset contains experimental data from a sample (3-azido-4-[(E)-2-(2-azido-4-carboxyphenyl)ethenyl]benzoic acid, InChI=1S/C16H10N6O4/c17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18/h1-8H,(H,23,24)(H,25,26)/b2-1+). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) high-resolution mass spectrometry (HRMS) infrared absorption spectroscopy (IR) ultraviolet-visible spectrophotometry (UV-VIS) elemental analysis (EA) mass spectrometry (MS)
DOI: 10.14272/gpmrcrxjswelfy-owojbtedsa-n/chmo0000470
title: mass spectrometry (MS) (3-azido-4-[(E)-2-(2-azido-4-carboxyphenyl)ethenyl]benzoic acid)
title: InChI=1S/C16H10N6O4/c17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18/h1-8H,(H,23,24)(H,25,26)/b2-1+

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 220 °C): 350 (21) [M]+, 322 (27) [M–N2]+, 294 (100) [M–N4]+, 249 (37) [M–CO2H–N2]+.
DOI: 10.14272/gpmrcrxjswelfy-owojbtedsa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (3-azido-4-[(E)-2-(2-azido-4-carboxyphenyl)ethenyl]benzoic acid)
title: InChI=1S/C16H10N6O4/c17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18/h1-8H,(H,23,24)(H,25,26)/b2-1+

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C16H10N6O4, 350.0758; found, 350.0756.
DOI: 10.14272/gpmrcrxjswelfy-owojbtedsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-azido-4-[(E)-2-(2-azido-4-carboxyphenyl)ethenyl]benzoic acid)
title: InChI=1S/C16H10N6O4/c17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18/h1-8H,(H,23,24)(H,25,26)/b2-1+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DMSO-d6, ppm) δ = 13.31 (bs, 2H, CO2H), 7.90 (d, 2H, J = 8.0 Hz, CH), 7.76 (s, 2H, HC=CH), 7.75 (d, 2H, J = 8.0 Hz, CH), 7.50 (s, 2H, CH).
DOI: 10.14272/gpmrcrxjswelfy-owojbtedsa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) (3-azido-4-[(E)-2-(2-azido-4-carboxyphenyl)ethenyl]benzoic acid)
title: InChI=1S/C16H10N6O4/c17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18/h1-8H,(H,23,24)(H,25,26)/b2-1+

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (MeOH), λmax = 262, 317, 355 nm.
DOI: 10.14272/gpmrcrxjswelfy-owojbtedsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (3-azido-4-[(E)-2-(2-azido-4-carboxyphenyl)ethenyl]benzoic acid)
title: InChI=1S/C16H10N6O4/c17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18/h1-8H,(H,23,24)(H,25,26)/b2-1+

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2113, 1686, 1602, 1562, 1504, 1419, 1339, 1290, 1262, 1224, 1156, 1126, 1084, 969, 956, 925, 884, 837, 815, 764, 728, 657, 642, 579, 552, 545, 528, 493, 477, 428 cm–1.
DOI: 10.14272/gpmrcrxjswelfy-owojbtedsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3-azido-4-[(E)-2-(2-azido-4-carboxyphenyl)ethenyl]benzoic acid)
title: InChI=1S/C16H10N6O4/c17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18/h1-8H,(H,23,24)(H,25,26)/b2-1+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, DMSO-d6, ppm) δ = 166.2 (2C, CO2H), 137.5 (2C, Cq), 131.7 (2C, Cq), 131.5 (2C, Cq), 127.1 (2C, CH), 125.9 (2C, CH), 125.7 (2C, CH), 119.7 (2C, HC=CH).
DOI: 10.14272/gpmrcrxjswelfy-owojbtedsa-n/chmo0001075
title: elemental analysis (EA) (3-azido-4-[(E)-2-(2-azido-4-carboxyphenyl)ethenyl]benzoic acid)
title: InChI=1S/C16H10N6O4/c17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18/h1-8H,(H,23,24)(H,25,26)/b2-1+

description: dataset for elemental analysis (EA) EA (C16H10N6O4): Calcd C 54.86; H 2.88; N 23.99. Found C 54.85; H 3.01; N 22.50.
DOI: 10.14272/gpmrcrxjswelfy-owojbtedsa-n/chmo0000470.1
title: mass spectrometry (MS) (3-azido-4-[(E)-2-(2-azido-4-carboxyphenyl)ethenyl]benzoic acid)
title: InChI=1S/C16H10N6O4/c17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18/h1-8H,(H,23,24)(H,25,26)/b2-1+

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 220 °C): 350 (5) [M]+, 322 (8) [M–N2]+, 294 (29) [M–N4]+, 249 (37) [M–CO2H–N2]+.
DOI: 10.14272/xotgtqgtntvmpg-uhfffaoysa-n.2
title: [3-prop-2-ynoyloxy-2,2-bis(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate
title: InChI=1S/C17H12O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h1-4H,9-12H2

description: This dataset contains experimental data from a sample ([3-prop-2-ynoyloxy-2,2-bis(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate, InChI=1S/C17H12O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h1-4H,9-12H2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/xotgtqgtntvmpg-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ([3-prop-2-ynoyloxy-2,2-bis(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate)
title: InChI=1S/C17H12O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h1-4H,9-12H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DMSO-d6, ppm) δ = 4.66 (s, 4H, C≡CH), 4.26 (s, 8H, CH2). Impurities: The spectrum shows additional signals due to the tris-functionalized side-product (12%).
DOI: 10.14272/xotgtqgtntvmpg-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ([3-prop-2-ynoyloxy-2,2-bis(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate)
title: InChI=1S/C17H12O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h1-4H,9-12H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, DMSO-d6, ppm) δ = 151.8 (4C, CO2), 80.0 (4C, C≡CH), 74.2 (4C, C≡CH), 63.8 (4C, CH2), 41.4 (1C, Cq). Impurities: The spectrum shows additional signals due to the tris-functionalized side-product.
DOI: 10.14272/xotgtqgtntvmpg-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ([3-prop-2-ynoyloxy-2,2-bis(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate)
title: InChI=1S/C17H12O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h1-4H,9-12H2

description: dataset for mass spectrometry (MS) FAB (m/z): 345 [M + H]+, 276 [MH–HC≡CCO2]+, 275 [M–HC≡CCO2]+.
DOI: 10.14272/xotgtqgtntvmpg-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ([3-prop-2-ynoyloxy-2,2-bis(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate)
title: InChI=1S/C17H12O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h1-4H,9-12H2

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–FAB (m/z): [M + H]+ calcd for C17H13O8, 345.0610; found, 345.0611.
DOI: 10.14272/drglmvbuavedkh-uhfffaoysa-n.2
title: Trimethylolethane tripropiolate
title: InChI=1S/C14H12O6/c1-5-11(15)18-8-14(4,9-19-12(16)6-2)10-20-13(17)7-3/h1-3H,8-10H2,4H3

description: This dataset contains experimental data from a sample ([2-methyl-3-prop-2-ynoyloxy-2-(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate, InChI=1S/C14H12O6/c1-5-11(15)18-8-14(4,9-19-12(16)6-2)10-20-13(17)7-3/h1-3H,8-10H2,4H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) mass spectrometry (MS)
DOI: 10.14272/drglmvbuavedkh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ([2-methyl-3-prop-2-ynoyloxy-2-(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate)
title: InChI=1S/C14H12O6/c1-5-11(15)18-8-14(4,9-19-12(16)6-2)10-20-13(17)7-3/h1-3H,8-10H2,4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DMSO-d6, ppm) δ = 4.63 (s, 3H, C≡CH), 4.13 (s, 6H, OCH2), 0.98 (s, 3H, CH3). Impurities: the spectrum contains impurities.
DOI: 10.14272/drglmvbuavedkh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ([2-methyl-3-prop-2-ynoyloxy-2-(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate)
title: InChI=1S/C14H12O6/c1-5-11(15)18-8-14(4,9-19-12(16)6-2)10-20-13(17)7-3/h1-3H,8-10H2,4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, DMSO-d6, ppm) δ = 152.0 (3C, CO2), 79.7 (3C, C≡CH), 74.3 (3C, C≡CH), 66.9 (3C, OCH2), 38.0 (1C, Cq), 16.3 (1C, CH3). Impurities: the spectrum contains impurities.
DOI: 10.14272/drglmvbuavedkh-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ([2-methyl-3-prop-2-ynoyloxy-2-(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate)
title: InChI=1S/C14H12O6/c1-5-11(15)18-8-14(4,9-19-12(16)6-2)10-20-13(17)7-3/h1-3H,8-10H2,4H3

description: dataset for mass spectrometry (MS) FAB (m/z): 277 [M + H]+, 207 [MH–C≡CCO2]+.
DOI: 10.14272/drglmvbuavedkh-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) ([2-methyl-3-prop-2-ynoyloxy-2-(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate)
title: InChI=1S/C14H12O6/c1-5-11(15)18-8-14(4,9-19-12(16)6-2)10-20-13(17)7-3/h1-3H,8-10H2,4H3

description: dataset for mass spectrometry (MS) FAB (m/z): 277 (20) [M + H]+, 207 (91) [MH–C≡CCO2]+, 155 (35), 154 (86), 139 (20), 138 (47), 137 (100), 136 (75), 107 (28), 95 (17), 91 (22), 89 (20).
DOI: 10.5281/zenodo.3976923
title: Calorie Harmony Data Set

description: Sample de-identified dataset from the Calorie Harmony study.
DOI: 10.5281/zenodo.3976922
title: Calorie Harmony Data Set

description: Sample de-identified dataset from the Calorie Harmony study.
DOI: 10.7910/dvn/cvpsbb/dekr2h
title: 04_bibliography_medicine_quality_indon.ris

description: A bibliography, downloadable to a reference manager, of references related to risks for substandard and falsified medicines in Indonesia.
DOI: 10.7910/dvn/cvpsbb/klzqsn
title: 01_COREQ_Hasnida.docx

description: Details of methods used in a qualitative study of substandard and falsified medicines in Indonesia, reported according to COREQ guidelines.
DOI: 10.7910/dvn/cvpsbb/ibmipl
title: 04_bibliography_medicine_quality_indon_v2.ris

description: :unav
DOI: 10.5281/zenodo.3977049
title: Sampling in Software Engineering Research Supplementary Material

description: Representative sampling appears rare in empirical engineering research. Not all studies need representative samples, but a general lack of representative sampling undermines a scientific field. This article therefore reports a systematic review of the state of sampling in recent, high-quality software engineering research. The key findings are: (1) random sampling is rare; (2) sophisticated sampling strategies are very rare; (3) sampling, representativeness and randomness do not appear well-understood. These findings suggest that software engineering research has a generalizability crisis. To address these problems, the paper synthesizes existing knowledge of sampling into a succinct primer and proposes extensive guidelines for improving the conduct, presentation and evaluation of sampling in software engineering research. It is further recommended that while researchers should strive for more representative samples, disparaging non-probability sampling is generally capricious and particularly misguided for predominately qualitative research.
DOI: 10.5281/zenodo.3977030
title: COVID-19 Mobility Data Aggregator

description: <strong>Motivation</strong> This repository includes:<br> 1) Data scraper of Google, Apple and Waze Mobility data<br> 2) Preprocessed mobility reports in different formats<br> 3) Merged mobility reports in summary files <strong>License</strong> See LICENSE.txt <strong>About data</strong> About Google COVID-19 Community Mobility Reports About Apple COVID-19 Mobility Trends Reports About Waze COVID-19 local driving trends <strong>Credit</strong> If you use this dataset, please cite original data sources: 1. Google LLC <em>"Google COVID-19 Community Mobility Reports"</em>. https://www.google.com/covid19/mobility/ Accessed: &lt;date&gt; 2. Apple Inc. "<em>Apple COVID-19 Mobility Trends Reports"</em>. https://www.apple.com/covid19/mobility Accessed: &lt;date&gt; 3. Waze Ltd "<em>Waze COVID-19 Impact Dashboard". </em>https://www.waze.com/covid19 Accessed: &lt;date&gt;
DOI: 10.5517/ccdc.csd.cc2409t9
title: CCDC 1966510: Experimental Crystal Structure Determination

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DOI: 10.5517/ccdc.csd.cc2409vb
title: CCDC 1966511: Experimental Crystal Structure Determination

description: Related Article: Ammar Kharma,  Claus Jacob,  Icaro Bozzi,  Guilherme Jardim,  Antonio Braga,  Kelly Salomão,  Claudia Gatto,  Maria Francilene Silva,  Claudia Pessoa,  Maximilian Stangier,  Lutz Ackermann,  Eufrânio Nunes da Silva Júnior|2020|Eur.J.Org.Chem.|2020|4474|doi:10.1002/ejoc.202000216
DOI: 10.5517/ccdc.csd.cc2409wc
title: CCDC 1966512: Experimental Crystal Structure Determination

description: Related Article: Ammar Kharma,  Claus Jacob,  Icaro Bozzi,  Guilherme Jardim,  Antonio Braga,  Kelly Salomão,  Claudia Gatto,  Maria Francilene Silva,  Claudia Pessoa,  Maximilian Stangier,  Lutz Ackermann,  Eufrânio Nunes da Silva Júnior|2020|Eur.J.Org.Chem.|2020|4474|doi:10.1002/ejoc.202000216
DOI: 10.5517/ccdc.csd.cc2409xd
title: CCDC 1966513: Experimental Crystal Structure Determination

description: Related Article: Ammar Kharma,  Claus Jacob,  Icaro Bozzi,  Guilherme Jardim,  Antonio Braga,  Kelly Salomão,  Claudia Gatto,  Maria Francilene Silva,  Claudia Pessoa,  Maximilian Stangier,  Lutz Ackermann,  Eufrânio Nunes da Silva Júnior|2020|Eur.J.Org.Chem.|2020|4474|doi:10.1002/ejoc.202000216
DOI: 10.5517/ccdc.csd.cc2409yf
title: CCDC 1966514: Experimental Crystal Structure Determination

description: Related Article: Ammar Kharma,  Claus Jacob,  Icaro Bozzi,  Guilherme Jardim,  Antonio Braga,  Kelly Salomão,  Claudia Gatto,  Maria Francilene Silva,  Claudia Pessoa,  Maximilian Stangier,  Lutz Ackermann,  Eufrânio Nunes da Silva Júnior|2020|Eur.J.Org.Chem.|2020|4474|doi:10.1002/ejoc.202000216
DOI: 10.5517/ccdc.csd.cc2409zg
title: CCDC 1966515: Experimental Crystal Structure Determination

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DOI: 10.5517/ccdc.csd.cc241l5z
title: CCDC 1967730: Experimental Crystal Structure Determination

description: Related Article: Segun D. Oladipo, Chunderika Mocktar, Bernard Omondi|2020|Arab.J.Chem.|13|6379|doi:10.1016/j.arabjc.2020.05.039
DOI: 10.5517/ccdc.csd.cc241l71
title: CCDC 1967732: Experimental Crystal Structure Determination

description: Related Article: Segun D. Oladipo, Chunderika Mocktar, Bernard Omondi|2020|Arab.J.Chem.|13|6379|doi:10.1016/j.arabjc.2020.05.039
DOI: 10.5517/ccdc.csd.cc241l82
title: CCDC 1967733: Experimental Crystal Structure Determination

description: Related Article: Segun D. Oladipo, Chunderika Mocktar, Bernard Omondi|2020|Arab.J.Chem.|13|6379|doi:10.1016/j.arabjc.2020.05.039
DOI: 10.5517/ccdc.csd.cc241lb4
title: CCDC 1967735: Experimental Crystal Structure Determination

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DOI: 10.5517/ccdc.csd.cc241lc5
title: CCDC 1967736: Experimental Crystal Structure Determination

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DOI: 10.5517/ccdc.csd.cc241ld6
title: CCDC 1967737: Experimental Crystal Structure Determination

description: Related Article: Segun D. Oladipo, Chunderika Mocktar, Bernard Omondi|2020|Arab.J.Chem.|13|6379|doi:10.1016/j.arabjc.2020.05.039
DOI: 10.18112/openneuro.ds003063.v1.0.0
title: ERP CORE ERN