cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25582/data.2020-02.1950566/2171220
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1952934/2171221
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1953726/2171222
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1952776/2171223
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1953022/2171224
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941334/2171225
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-01.1919290/2171226
title: Data for EMSL Project 51287 from January 2020
DOI: 10.25582/data.2020-01.1919285/2171227
title: Data for EMSL Project 51287 from January 2020
DOI: 10.25582/data.2020-02.1946997/2171228
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941619/2171229
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1944967/2171230
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941432/2171231
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941626/2171232
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1943729/2171233
title: Data for EMSL Project 51287 from February 2020
DOI: 10.34740/kaggle/dsv/6870534
title: Contrastive Language Image Pretraining by openai
DOI: 10.25582/data.2020-02.1943393/2171234
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1949379/2171235
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-01.1938761/2171236
title: Data for EMSL Project 51287 from January 2020
DOI: 10.25582/data.2020-02.1944901/2171237
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1942842/2171238
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941492/2171239
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-01.1934264/2171240
title: Data for EMSL Project 51287 from January 2020
DOI: 10.25582/data.2020-02.1941571/2171241
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-01.1920166/2171242
title: Data for EMSL Project 51287 from January 2020
DOI: 10.14272/fgafctkxfaagqv-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (9-heptylcarbazole)
title: InChI=1S/C19H23N/c1-2-3-4-5-10-15-20-18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h6-9,11-14H,2-5,10,15H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/fgafctkxfaagqv-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (9-heptylcarbazole)
title: InChI=1S/C19H23N/c1-2-3-4-5-10-15-20-18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h6-9,11-14H,2-5,10,15H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3050, 2952, 2924, 2868, 2853, 1881, 1847, 1796, 1785, 1762, 1731, 1677, 1626, 1596, 1483, 1462, 1452, 1377, 1346, 1324, 1251, 1230, 1211, 1188, 1152, 1128, 1119, 1064, 1017, 1001, 960, 924, 878, 840, 827, 800, 779, 771, 748, 721, 618, 575, 558, 528, 504, 494, 473, 455, 438, 422 cm–1.
DOI: 10.14272/fgafctkxfaagqv-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (9-heptylcarbazole)
title: InChI=1S/C19H23N/c1-2-3-4-5-10-15-20-18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h6-9,11-14H,2-5,10,15H2,1H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 40°C), m/z (%): 265 (73) [M]+, 181 (14), 180 (100).HRMS–EI (m/z): [M]+ calcd for C19H23N 265.1825; found 265.1824.
DOI: 10.14272/fgafctkxfaagqv-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (9-heptylcarbazole)
title: InChI=1S/C19H23N/c1-2-3-4-5-10-15-20-18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h6-9,11-14H,2-5,10,15H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.27 ppm], ppm) δ = 8.13 (dd, 3J = 7.8 Hz, 4J = 1.0 Hz, 2H), 7.50–7.46 (m, 2H), 7.43–7.41 (m, 2H), 7.33–7.19 (m, 2H), 4.33 (t, 3J = 7.3 Hz, 2H), 1.90 (p, 3J = 7.3 Hz, 2H), 1.48–1.20 (m, 8H), 0.89 (t, 3J = 6.8 Hz, 3H).Impurities (ppm): 4.14/2.07 (ethyl acetate), 1.56 (water).
DOI: 10.14272/fgafctkxfaagqv-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (9-heptylcarbazole)
title: InChI=1S/C19H23N/c1-2-3-4-5-10-15-20-18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h6-9,11-14H,2-5,10,15H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm], ppm) δ = 140.5 (2C, Cq), 125.6 (2C, CHar), 122.8 (2C, Cq), 120.3 (2C, CHar), 118.7 (2C, CHar), 108.7 (2C, CHar), 43.1 (CH2), 31.7 (CH2), 29.1 (CH2), 29.0 (CH2), 27.3 (CH2), 22.6 (CH2), 14.1 (CH3).
DOI: 10.14272/fgafctkxfaagqv-uhfffaoysa-n.1
title: 9-heptylcarbazole
title: InChI=1S/C19H23N/c1-2-3-4-5-10-15-20-18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h6-9,11-14H,2-5,10,15H2,1H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C19H23N/c1-2-3-4-5-10-15-20-18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h6-9,11-14H,2-5,10,15H2,1H3, and canonical SMILES descriptor[cheminf_000007]: CCCCCCCn1c2ccccc2c2c1cccc2, and by the IUPAC name[cheminf_000107]: 9-heptylcarbazole. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-25950 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000470 | mass spectrometry (MS) CHMO:0000630 | infrared absorption spectroscopy (IR) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations
DOI: 10.25582/data.2020-02.1944917/2171243
title: Data for EMSL Project 51287 from February 2020
DOI: 10.14272/fgafctkxfaagqv-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (9-heptylcarbazole)
title: InChI=1S/C19H23N/c1-2-3-4-5-10-15-20-18-13-8-6-11-16(18)17-12-7-9-14-19(17)20/h6-9,11-14H,2-5,10,15H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.25582/data.2020-02.1949353/2171244
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1943468/2171245
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-01.1932676/2171246
title: Data for EMSL Project 51287 from January 2020
DOI: 10.25582/data.2020-02.1949410/2171247
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-01.1931777/2171248
title: Data for EMSL Project 51287 from January 2020
DOI: 10.25582/data.2020-02.1941720/2171249
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941623/2171250
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1944883/2171251
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941417/2171252
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941576/2171253
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-01.1932767/2171254
title: Data for EMSL Project 51287 from January 2020
DOI: 10.25582/data.2020-02.1941499/2171255
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1942833/2171256
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-01.1932522/2171257
title: Data for EMSL Project 51287 from January 2020
DOI: 10.6084/m9.figshare.24473422
title: Tithonia Diversifolia-SEM analyze

description: SEM analysis of zinc oxide nanoparticle emulsion from <i>Tithonia diversifolia </i>leaf extract
DOI: 10.6084/m9.figshare.24473422.v1
title: Tithonia Diversifolia-SEM analyze

description: SEM analysis of zinc oxide nanoparticle emulsion from <i>Tithonia diversifolia </i>leaf extract
DOI: 10.25582/data.2020-02.1941458/2171258
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941484/2171259
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941610/2171260
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941581/2171261
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1947046/2171262
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-01.1936446/2171263
title: Data for EMSL Project 51287 from January 2020
DOI: 10.25582/data.2020-02.1941569/2171264
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1942149/2171265
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1946349/2171266
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941622/2171267
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-01.1931798/2171268
title: Data for EMSL Project 51287 from January 2020
DOI: 10.25582/data.2020-02.1941582/2171269
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-01.1934243/2171270
title: Data for EMSL Project 51287 from January 2020
DOI: 10.25582/data.2020-02.1944976/2171271
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1942032/2171272
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941288/2171273
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1944949/2171274
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-01.1939039/2171275
title: Data for EMSL Project 51287 from January 2020
DOI: 10.25582/data.2020-02.1939264/2171276
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941534/2171277
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941505/2171278
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-01.1919320/2171279
title: Data for EMSL Project 51287 from January 2020
DOI: 10.25582/data.2020-02.1941600/2171280
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-01.1920324/2171281
title: Data for EMSL Project 51287 from January 2020
DOI: 10.25582/data.2020-02.1944914/2171282
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1949400/2171283
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1949411/2171284
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941601/2171285
title: Data for EMSL Project 51287 from February 2020
DOI: 10.14272/xtjgcmgzglirjw-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2,3-di(piperidin-1-yl)quinoxaline)
title: InChI=1S/C18H24N4/c1-5-11-21(12-6-1)17-18(22-13-7-2-8-14-22)20-16-10-4-3-9-15(16)19-17/h3-4,9-10H,1-2,5-8,11-14H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.27 ppm], ppm) δ = 7.68 (m, 2H), 7.39–7.35 (m, 2H), 3.60–3.42 (m, 8H), 1.74 (p, 3J = 5.5 Hz, 8H), 1.69–1.59 (m, 4H).Impurities (ppm): 4.03/1.96/1.17 (ethyl acetate).
DOI: 10.14272/xtjgcmgzglirjw-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (2,3-di(piperidin-1-yl)quinoxaline)
title: InChI=1S/C18H24N4/c1-5-11-21(12-6-1)17-18(22-13-7-2-8-14-22)20-16-10-4-3-9-15(16)19-17/h3-4,9-10H,1-2,5-8,11-14H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/xtjgcmgzglirjw-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2,3-di(piperidin-1-yl)quinoxaline)
title: InChI=1S/C18H24N4/c1-5-11-21(12-6-1)17-18(22-13-7-2-8-14-22)20-16-10-4-3-9-15(16)19-17/h3-4,9-10H,1-2,5-8,11-14H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm], ppm) δ = 149.4 (2C, Cq), 137.8 (2C, Cq), 126.2 (2C, CHar), 125.7 (2C, CHar), 48.1 (4C, CH2), 26.0 (4C, CH2), 24.8 (2C, CH2).
DOI: 10.14272/xtjgcmgzglirjw-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (2,3-di(piperidin-1-yl)quinoxaline)
title: InChI=1S/C18H24N4/c1-5-11-21(12-6-1)17-18(22-13-7-2-8-14-22)20-16-10-4-3-9-15(16)19-17/h3-4,9-10H,1-2,5-8,11-14H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/xtjgcmgzglirjw-uhfffaoysa-n.1
title: 2,3-bis(1-piperidinyl)quinoxaline
title: InChI=1S/C18H24N4/c1-5-11-21(12-6-1)17-18(22-13-7-2-8-14-22)20-16-10-4-3-9-15(16)19-17/h3-4,9-10H,1-2,5-8,11-14H2

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C18H24N4/c1-5-11-21(12-6-1)17-18(22-13-7-2-8-14-22)20-16-10-4-3-9-15(16)19-17/h3-4,9-10H,1-2,5-8,11-14H2, and canonical SMILES descriptor[cheminf_000007]: C1CCN(CC1)c1nc2ccccc2nc1N1CCCCC1, and by the IUPAC name[cheminf_000107]: 2,3-di(piperidin-1-yl)quinoxaline. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-25942 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 143.5 - 145.0 (°C) Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000470 | mass spectrometry (MS) CHMO:0000630 | infrared absorption spectroscopy (IR) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations
DOI: 10.14272/xtjgcmgzglirjw-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2,3-di(piperidin-1-yl)quinoxaline)
title: InChI=1S/C18H24N4/c1-5-11-21(12-6-1)17-18(22-13-7-2-8-14-22)20-16-10-4-3-9-15(16)19-17/h3-4,9-10H,1-2,5-8,11-14H2

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 80 °C), m/z (%): 296 (100) [M]+, 253 (13), 239 (18), 227 (16), 225 (17), 213 (15), 185 (12), 184 (25), 183 (10), 181 (11), 171 (10), 170 (19), 169 (15), 145 (11), 131 (16), 130 (12), 129 (14), 119 (15), 102 (10), 84 (37), 69 (36).HRMS–EI (m/z): [M]+ calcd for C18H24N4 296.1995; found 296.1995.
DOI: 10.14272/xtjgcmgzglirjw-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2,3-di(piperidin-1-yl)quinoxaline)
title: InChI=1S/C18H24N4/c1-5-11-21(12-6-1)17-18(22-13-7-2-8-14-22)20-16-10-4-3-9-15(16)19-17/h3-4,9-10H,1-2,5-8,11-14H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2922, 2873, 2846, 2832, 1547, 1470, 1439, 1375, 1350, 1327, 1303, 1289, 1272, 1264, 1239, 1211, 1197, 1164, 1159, 1130, 1113, 1072, 1038, 1030, 1014, 962, 943, 908, 873, 857, 822, 809, 752, 698, 619, 602, 572, 535, 484, 407 cm–1.
DOI: 10.25582/data.2020-01.1937041/2171286
title: Data for EMSL Project 51287 from January 2020
DOI: 10.25582/data.2020-01.1938370/2171287
title: Data for EMSL Project 51287 from January 2020
DOI: 10.25582/data.2020-02.1947068/2171288
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1949793/2171289
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941646/2171290
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1946081/2171291
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-01.1932766/2171292
title: Data for EMSL Project 51287 from January 2020
DOI: 10.25582/data.2020-01.1919307/2171293
title: Data for EMSL Project 51287 from January 2020
DOI: 10.14272/vbzdmksvsnfqsg-uhfffaoysa-n/chmo0000470.3
title: mass spectrometry (MS) (2,3-dibromoquinoxaline)
title: InChI=1S/C8H4Br2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 50 °C), m/z (%): 290/288/286 (46/100/53) [M]+, 209 (76), 207 (76), 128 (48), 102 (64), 101 (16), 76 (24), 75 (44), 74 (17), 69 (18), 51 (17).HRMS–EI (m/z): [M]+ calcd for C8H4 79Br2N2 285.8736; found 285.8734.
DOI: 10.14272/vbzdmksvsnfqsg-uhfffaoysa-n/chmo0000595.2
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2,3-dibromoquinoxaline)
title: InChI=1S/C8H4Br2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm], ppm) δ = 141.3 (2C, Cq), 140.8 (2C, Cq), 131.3 (2C, CHar), 128.4 (2C, CHar).
DOI: 10.25582/data.2020-02.1945723/2171294
title: Data for EMSL Project 51287 from February 2020
DOI: 10.14272/vbzdmksvsnfqsg-uhfffaoysa-n.3
title: 2,3-dibromoquinoxaline
title: InChI=1S/C8H4Br2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C8H4Br2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H, and canonical SMILES descriptor[cheminf_000007]: Brc1nc2ccccc2nc1Br, and by the IUPAC name[cheminf_000107]: 2,3-dibromoquinoxaline. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-25924 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 174.5 - 175.5 (°C) Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000470 | mass spectrometry (MS) CHMO:0000630 | infrared absorption spectroscopy (IR) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations
DOI: 10.14272/vbzdmksvsnfqsg-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (2,3-dibromoquinoxaline)
title: InChI=1S/C8H4Br2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/vbzdmksvsnfqsg-uhfffaoysa-n/chmo0000630.2
title: infrared absorption spectroscopy (IR) (2,3-dibromoquinoxaline)
title: InChI=1S/C8H4Br2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3098, 3033, 2927, 1548, 1513, 1477, 1254, 1170, 1106, 1072, 1060, 973, 958, 882, 868, 768, 679, 652, 639, 619, 581, 545, 533, 514, 493, 469, 459, 429, 381, 377 cm–1.
DOI: 10.14272/vbzdmksvsnfqsg-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (2,3-dibromoquinoxaline)
title: InChI=1S/C8H4Br2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.25582/data.2020-01.1937071/2171295
title: Data for EMSL Project 51287 from January 2020
DOI: 10.14272/vbzdmksvsnfqsg-uhfffaoysa-n/chmo0000593.2
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2,3-dibromoquinoxaline)
title: InChI=1S/C8H4Br2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.27 ppm], ppm) δ = 8.08–7.99 (m, 2H), 7.86–7.77 (m, 2H).Impurities (ppm): 5.29 (DCM), 1.56 (water), 1.26 (grease).
DOI: 10.25582/data.2020-02.1945394/2171296
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1949404/2171297
title: Data for EMSL Project 51287 from February 2020
DOI: 10.34740/kaggle/dsv/6870465
title: 📒Meta Kaggle ported to SQLITE DB
DOI: 10.25582/data.2020-02.1942894/2171298
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1944977/2171299
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1939635/2171300
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941491/2171301
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1942893/2171302
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1943174/2171303
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1941614/2171304
title: Data for EMSL Project 51287 from February 2020
DOI: 10.25582/data.2020-02.1942092/2171305
title: Data for EMSL Project 51287 from February 2020
DOI: 10.14272/amnwochdjmgdru-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (2-bromo-3-(trifluoromethyl)quinoxaline)
title: InChI=1S/C9H4BrF3N2/c10-8-7(9(11,12)13)14-5-3-1-2-4-6(5)15-8/h1-4H

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3, ppm) δ = -66.25.
DOI: 10.14272/amnwochdjmgdru-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (2-bromo-3-(trifluoromethyl)quinoxaline)
title: InChI=1S/C9H4BrF3N2/c10-8-7(9(11,12)13)14-5-3-1-2-4-6(5)15-8/h1-4H

description: dataset for distortionless enhancement with polarization transfer (DEPT)