cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/fhjrkgxjbxpbga-uhfffaoysa-n.1
title: 4-(1,3-benzothiazol-2-yl)-N-methylaniline
title: InChI=1S/C14H12N2S/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-9,15H,1H3

description: This dataset contains experimental data from a sample (4-(1,3-benzothiazol-2-yl)-N-methylaniline, InChI=1S/C14H12N2S/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-9,15H,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/oeopvjyucsqvmj-uhfffaoysa-n.1
title: N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
title: InChI=1S/C16H16N2S/c1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3

description: This dataset contains experimental data from a sample (N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline, InChI=1S/C16H16N2S/c1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS) mass spectrometry (MS)
DOI: 10.14272/oeopvjyucsqvmj-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline)
title: InChI=1S/C16H16N2S/c1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 7.94–8.00 (m, 2H), 7.87 (d, J = 8.2 Hz, 1H), 7.65 (s, 1H), 7.25 (dd, J = 8.3 Hz, J = 1.1 Hz, 1H), 6.73–6.78 (m, 2H), 3.06 (s, 6H), 2.50 (s, 3H).
DOI: 10.14272/oeopvjyucsqvmj-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline)
title: InChI=1S/C16H16N2S/c1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 1604, 1553, 1531, 1480, 1451, 1440, 1426, 1409, 1368, 1318, 1307, 1283, 1259, 1233, 1226, 1189, 1167, 1143, 1126, 1059, 1004, 964, 946, 888, 862, 817, 807, 749, 724, 685, 623, 579, 565, 514, 501, 480, 432, 413, 385 cm–1.
DOI: 10.5281/zenodo.3690494
title: SmartCom XML Scheme Definition (XSD) for a Machine-readable Communication of Fundamental Constants in Metrology

description: The XSD defines a data structure for an unambiguous, easy-to-use, safe and uniform exchange of fundamental physical constants and mathematical constants in a machine-readable data format. The data elements for constants are defined in the Digital System of Units (D-SI) metadata model from the EMPIR project 17IND02 SmartCom. The development of the data structure was based on an own analysis of minimum requirement for transfering the data of fundamental physical constants "as are" provided by CODATA into a machine-readable form. Furthermore, the considerations for the transformation comprise traceability to the original CODATA values. The availability of machine-readable data of fundamental physical constants that can easy be accessed by software and that are traceable to a international accepted definition is essential for various areas of metrology where the International System of Units (SI) is of key-importance.
description: The development of the unified meta data format for the exchange of measurement data in ICT applications and its implementation using XML is part of the research project EMPIR 17IND02 (title: SmartCom). This project has received funding from the EMPIR programme co-financed by the Participating States and from the European Union's Horizon 2020 research and innovation programme.
description: {"references": ["Web ressource XML scheme for fundamental constants: https://www.ptb.de/si/codata/codata.xsd"]}
DOI: 10.6085/aa/pts001_021mhp2019r00_20101015.40.1
title: (:unkn)
DOI: 10.14272/oeopvjyucsqvmj-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline)
title: InChI=1S/C16H16N2S/c1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 167.7, 152.4, 152.0, 134.6, 134.1, 128.6 (2C), 127.4, 121.7, 121.5, 121.1, 111.6 (2C), 40.1 (2C), 21.4.
DOI: 10.14272/gmlilfmfndcnod-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (N-methyl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline)
title: InChI=1S/C15H11F3N2S/c1-19-11-5-2-9(3-6-11)14-20-12-8-10(15(16,17)18)4-7-13(12)21-14/h2-8,19H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3 [77.0 ppm], ppm) δ = 170.7, 154.0, 151.9, 138.0, 136.8, 129.3 (2C), 128.6 (q, J = 32.6 Hz), 124.3 (q, J = 272 Hz), 121.8, 120.5 (q, J = 3.6 Hz), 119.3 (q, J = 4.4 Hz), 112.1 (2C), 30.3. Spectrum contains ca. 11% impurities according to 1H NMR measurement with the same sample.
DOI: 10.14272/oeopvjyucsqvmj-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) (N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline)
title: InChI=1S/C16H16N2S/c1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3

description: dataset for mass spectrometry (MS) HRMS (C16H16N2S): Calcd 268.1029, Found 268.1030.
DOI: 10.14272/gmlilfmfndcnod-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (N-methyl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline)
title: InChI=1S/C15H11F3N2S/c1-19-11-5-2-9(3-6-11)14-20-12-8-10(15(16,17)18)4-7-13(12)21-14/h2-8,19H,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3454, 2920, 2897, 2850, 2825, 1603, 1572, 1532, 1492, 1477, 1464, 1433, 1420, 1405, 1328, 1320, 1279, 1255, 1215, 1182, 1168, 1161, 1140, 1102, 1078, 1065, 1052, 1008, 963, 909, 891, 828, 816, 759, 736, 711, 694, 668, 629, 615, 551, 540, 513, 447 cm–1.
DOI: 10.6085/aa/pts001_021mhp2019r00_20101128.40.1
title: (:unkn)
DOI: 10.14272/gmlilfmfndcnod-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (N-methyl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline)
title: InChI=1S/C15H11F3N2S/c1-19-11-5-2-9(3-6-11)14-20-12-8-10(15(16,17)18)4-7-13(12)21-14/h2-8,19H,1H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 80 °C): 308 (27), 192 (100), 148 (25), 69 (20). HRMS (C15H11N2F3S): Calcd 308.0590, Found 308.0588.
DOI: 10.14272/gmlilfmfndcnod-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (N-methyl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline)
title: InChI=1S/C15H11F3N2S/c1-19-11-5-2-9(3-6-11)14-20-12-8-10(15(16,17)18)4-7-13(12)21-14/h2-8,19H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3 [7.27 ppm], ppm) δ = 8.24 (s, 1H), 7.91–7.96 (m, 3H), 7.54 (dd, J = 8.3 Hz, J = 1.1 Hz, 1H), 6.64–6.69 (m, 2H), 2.93 (s, 3H). 1H is missing (1H, NH). Spectrum contains ca. 11% impurities.
DOI: 10.14272/gmlilfmfndcnod-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (N-methyl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline)
title: InChI=1S/C15H11F3N2S/c1-19-11-5-2-9(3-6-11)14-20-12-8-10(15(16,17)18)4-7-13(12)21-14/h2-8,19H,1H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (471 MHz, CDCl3, ppm) δ = –61.72.
DOI: 10.14272/nauxhtytqiqzji-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-(4-ethoxyphenyl)-1,3-benzothiazole)
title: InChI=1S/C15H13NOS/c1-2-17-12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,2H2,1H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 60 °C): 381 (12), 331 (19), 281 (12), 262 (10), 255 (100), 227 (80), 198 (14), 181 (22), 131 (17), 108 (13), 69 (18). HRMS (C15H13ONS): Calcd 255.0712, Found 255.0712.
DOI: 10.14272/nauxhtytqiqzji-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-(4-ethoxyphenyl)-1,3-benzothiazole)
title: InChI=1S/C15H13NOS/c1-2-17-12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,2H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3 [77.0 ppm], ppm) δ = 167.7, 161.1, 154.1, 134.7, 128.9 (2C), 126.0 (2C), 124.5, 122.6, 121.3, 114.6 (2C), 63.4, 14.5.
DOI: 10.14272/gmlilfmfndcnod-uhfffaoysa-n.1
title: N-methyl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline
title: InChI=1S/C15H11F3N2S/c1-19-11-5-2-9(3-6-11)14-20-12-8-10(15(16,17)18)4-7-13(12)21-14/h2-8,19H,1H3

description: This dataset contains experimental data from a sample (N-methyl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline, InChI=1S/C15H11F3N2S/c1-19-11-5-2-9(3-6-11)14-20-12-8-10(15(16,17)18)4-7-13(12)21-14/h2-8,19H,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 19F nuclear magnetic resonance spectroscopy (19F NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/nauxhtytqiqzji-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-(4-ethoxyphenyl)-1,3-benzothiazole)
title: InChI=1S/C15H13NOS/c1-2-17-12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,2H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2972, 2928, 2893, 1599, 1590, 1573, 1521, 1484, 1471, 1454, 1434, 1413, 1393, 1369, 1307, 1286, 1248, 1222, 1181, 1170, 1114, 1073, 1044, 1012, 961, 943, 919, 864, 857, 838, 824, 801, 756, 729, 709, 691, 643, 620, 552, 510, 456, 442, 415, 384 cm–1.
DOI: 10.14272/fourljnifqpofd-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-(1,3-benzothiazol-2-yl)benzonitrile)
title: InChI=1S/C14H8N2S/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 90 °C): 236 (100), 181 (27), 131 (29), 108 (16), 69 (48).
DOI: 10.14272/fourljnifqpofd-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) (4-(1,3-benzothiazol-2-yl)benzonitrile)
title: InChI=1S/C14H8N2S/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H

description: dataset for mass spectrometry (MS) HRMS (C14H8N2S): Calcd 236.0403, Found 236.0404.
DOI: 10.14272/fourljnifqpofd-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (4-(1,3-benzothiazol-2-yl)benzonitrile)
title: InChI=1S/C14H8N2S/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2225, 1607, 1592, 1556, 1512, 1478, 1458, 1432, 1405, 1314, 1290, 1286, 1250, 1238, 1225, 1175, 1123, 1110, 1072, 1017, 966, 837, 823, 763, 729, 709, 694, 636, 616, 602, 555, 531, 496, 446, 426 cm–1.
DOI: 10.14272/nauxhtytqiqzji-uhfffaoysa-n.1
title: 2-(4-ethoxyphenyl)-1,3-benzothiazole
title: InChI=1S/C15H13NOS/c1-2-17-12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,2H2,1H3

description: This dataset contains experimental data from a sample (2-(4-ethoxyphenyl)-1,3-benzothiazole, InChI=1S/C15H13NOS/c1-2-17-12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,2H2,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/nauxhtytqiqzji-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-(4-ethoxyphenyl)-1,3-benzothiazole)
title: InChI=1S/C15H13NOS/c1-2-17-12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,2H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3 [7.27 ppm], ppm) δ = 8.06 (d, J = 8.1 Hz, 1H), 7.98–8.03 (m, 2H), 7.85 (d, J = 7.8 Hz, 1H), 7.47 (ddd, J = 7.7 Hz, J = 7.7 Hz, J = 1.1 Hz, 1H), 7.31–7.35 (m, 1H), 6.92–6.96 (m, 2H), 4.01 (q, J = 7.0 Hz, 2H), 1.41 (t, J = 7.0 Hz, 3H).
DOI: 10.25345/c5bh7f
title: MassIVE MSV000085032 - GNPS - Extracts and Fractions from Paenibacillus larvae
title: Extracts and fractions from Paenibacillus larvae 04-309 containing Sevadicin and Paenilarvin.
DOI: 10.14272/fourljnifqpofd-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-(1,3-benzothiazol-2-yl)benzonitrile)
title: InChI=1S/C14H8N2S/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.19–8.24 (m, 2H), 8.12 (d, J = 8.1 Hz, 1H), 7.96–7.94 (m, 1H), 7.78–7.82 (m, 2H), 7.57–7.57 (m, 1H), 7.48–7.44 (m, 1H).
DOI: 10.14272/fourljnifqpofd-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-(1,3-benzothiazol-2-yl)benzonitrile)
title: InChI=1S/C14H8N2S/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 165.4, 154.0, 137.5, 135.3, 132.8 (2C), 127.9 (2C), 126.8, 126.1, 123.8, 121.8, 118.3, 114.1.
DOI: 10.14272/qaqobomsemahee-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C18H17F3N2OS/c1-3-23(4-2)12-6-7-13(15(24)10-12)17-22-14-9-11(18(19,20)21)5-8-16(14)25-17/h5-10,24H,3-4H2,1-2H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (471 MHz, CDCl3, ppm) δ = –61.73.
DOI: 10.14272/fourljnifqpofd-uhfffaoysa-n.1
title: 4-(1,3-benzothiazol-2-yl)benzonitrile
title: InChI=1S/C14H8N2S/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H

description: This dataset contains experimental data from a sample (4-(1,3-benzothiazol-2-yl)benzonitrile, InChI=1S/C14H8N2S/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS) mass spectrometry (MS)
DOI: 10.14272/qaqobomsemahee-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C18H17F3N2OS/c1-3-23(4-2)12-6-7-13(15(24)10-12)17-22-14-9-11(18(19,20)21)5-8-16(14)25-17/h5-10,24H,3-4H2,1-2H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 100 °C): 366 (62), 351 (100), 331 (50), 323 (13), 293 (17), 281 (34), 262 (42), 243 (47), 231 (31), 181 (14), 169 (10). HRMS (C18H17ON2F3S): Calcd 366.1008, Found 366.1010.
DOI: 10.14272/qaqobomsemahee-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H17F3N2OS/c1-3-23(4-2)12-6-7-13(15(24)10-12)17-22-14-9-11(18(19,20)21)5-8-16(14)25-17/h5-10,24H,3-4H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3 [77.0 ppm], ppm) δ = 171.3, 156.0, 152.1, 151.8, 135.4, 130.0 (2C), 128.9 (q, J = 32.7 Hz), 124.2 (q, J = 272 Hz), 121.6 (2C), 120.4 (q, J = 3.8 Hz), 117.8 (q, J = 4.2 Hz), 105.3, 104.4, 97.8, 44.6, 12.6.
DOI: 10.14272/qaqobomsemahee-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C18H17F3N2OS/c1-3-23(4-2)12-6-7-13(15(24)10-12)17-22-14-9-11(18(19,20)21)5-8-16(14)25-17/h5-10,24H,3-4H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2976, 2930, 2873, 1628, 1604, 1558, 1536, 1487, 1468, 1453, 1433, 1410, 1378, 1349, 1344, 1324, 1304, 1262, 1240, 1221, 1199, 1163, 1138, 1116, 1073, 1052, 1018, 963, 930, 912, 878, 851, 828, 810, 786, 760, 731, 721, 708, 666, 653, 602, 578, 551, 530, 447, 384 cm–1.
DOI: 10.14272/qaqobomsemahee-uhfffaoysa-n.1
title: C18H17F3N2OS
title: InChI=1S/C18H17F3N2OS/c1-3-23(4-2)12-6-7-13(15(24)10-12)17-22-14-9-11(18(19,20)21)5-8-16(14)25-17/h5-10,24H,3-4H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C18H17F3N2OS/c1-3-23(4-2)12-6-7-13(15(24)10-12)17-22-14-9-11(18(19,20)21)5-8-16(14)25-17/h5-10,24H,3-4H2,1-2H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 19F nuclear magnetic resonance spectroscopy (19F NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/qaqobomsemahee-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H17F3N2OS/c1-3-23(4-2)12-6-7-13(15(24)10-12)17-22-14-9-11(18(19,20)21)5-8-16(14)25-17/h5-10,24H,3-4H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3 [7.27 ppm], ppm) δ = 12.24 (s, 1H), 8.10 (s, 1H), 7.89 (d, J = 8.2 Hz, 1H), 7.51 (dd, J = 8.3 Hz, J = 1.1 Hz, 1H), 7.44 (d, J = 8.7 Hz, 1H), 6.26–6.32 (m, 2H), 3.42 (q, J = 7.0 Hz, 4H), 1.23 (t, J = 7.2 Hz, 6H).
DOI: 10.14272/vumznloqjgkgne-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-amino-5-methylbenzenethiol)
title: InChI=1S/C7H9NS/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 80 °C): 276 (46) [dimer], 181 (27), 138 (100), 131 (29), 94 (20), 69 (67).
DOI: 10.14272/vumznloqjgkgne-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) (2-amino-5-methylbenzenethiol)
title: InChI=1S/C7H9NS/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3

description: dataset for mass spectrometry (MS) HRMS (C7H8NS): Calcd 138.0377, Found 138.0377.
DOI: 10.14272/vumznloqjgkgne-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-amino-5-methylbenzenethiol)
title: InChI=1S/C7H9NS/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3393, 3289, 3186, 3016, 2912, 2854, 1619, 1611, 1579, 1558, 1492, 1456, 1397, 1375, 1315, 1293, 1252, 1154, 1037, 987, 943, 887, 817, 779, 728, 691, 654, 558, 494, 477, 462, 445, 392 cm–1.
DOI: 10.14272/nnxgmqktmuwzbw-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (6-methyl-2-phenyl-1,3-benzothiazole)
title: InChI=1S/C14H11NS/c1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11/h2-9H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 166.9, 152.2, 135.2, 135.1, 133.6, 130.6, 128.9 (2C), 127.8, 127.3 (2C), 122.6, 121.3, 21.4. The spectrum contains ca.10% impurities (according to 1H NMR spectrum of the same sample)
DOI: 10.14272/nnxgmqktmuwzbw-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (6-methyl-2-phenyl-1,3-benzothiazole)
title: InChI=1S/C14H11NS/c1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11/h2-9H,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3016, 2914, 1603, 1575, 1552, 1508, 1478, 1453, 1440, 1405, 1358, 1337, 1310, 1281, 1256, 1246, 1225, 1206, 1181, 1154, 1134, 1124, 1100, 1075, 1062, 1039, 1027, 998, 988, 967, 954, 918, 888, 874, 845, 813, 763, 709, 688, 649, 622, 565, 528, 474, 428 cm–1.
DOI: 10.14272/vumznloqjgkgne-uhfffaoysa-n.1
title: 2-amino-5-methylbenzenethiol
title: InChI=1S/C7H9NS/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3

description: This dataset contains experimental data from a sample (2-amino-5-methylbenzenethiol, InChI=1S/C7H9NS/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3). The datasets from the following experiments are available: 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) mass spectrometry (MS) infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/vumznloqjgkgne-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-amino-5-methylbenzenethiol)
title: InChI=1S/C7H9NS/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.03–6.93 (m, 2H), 6.65 (d, J = 7.9 Hz, 1H), 4.08 (bs, 2H), 2.15 (s, 3H).Missing Signal (1H, SH). Remaining solvent CH2Cl2 at 5.22 ppm.
DOI: 10.14272/yotwmbdnlpnrke-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) (4-(1,3-benzothiazol-2-yl)-N-ethylaniline)
title: InChI=1S/C15H14N2S/c1-2-16-12-9-7-11(8-10-12)15-17-13-5-3-4-6-14(13)18-15/h3-10,16H,2H2,1H3

description: dataset for mass spectrometry (MS) HRMS (C15H14N2S): Calcd 254.0872, Found 254.0873.
DOI: 10.14272/yotwmbdnlpnrke-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-(1,3-benzothiazol-2-yl)-N-ethylaniline)
title: InChI=1S/C15H14N2S/c1-2-16-12-9-7-11(8-10-12)15-17-13-5-3-4-6-14(13)18-15/h3-10,16H,2H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 168.8, 154.2, 150.7, 134.4, 129.1 (2C), 126.0, 124.2, 122.4, 122.3, 121.3, 112.3 (2C), 38.1, 14.6.
DOI: 10.14272/nnxgmqktmuwzbw-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (6-methyl-2-phenyl-1,3-benzothiazole)
title: InChI=1S/C14H11NS/c1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11/h2-9H,1H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 60 °C): 231 (13),225 (100), 181 (56), 131 (55), 121 (22), 119 (11), 100 (12), 69 (95).
DOI: 10.14272/yotwmbdnlpnrke-uhfffaoysa-n.1
title: 4-(1,3-benzothiazol-2-yl)-N-ethylaniline
title: InChI=1S/C15H14N2S/c1-2-16-12-9-7-11(8-10-12)15-17-13-5-3-4-6-14(13)18-15/h3-10,16H,2H2,1H3

description: This dataset contains experimental data from a sample (4-(1,3-benzothiazol-2-yl)-N-ethylaniline, InChI=1S/C15H14N2S/c1-2-16-12-9-7-11(8-10-12)15-17-13-5-3-4-6-14(13)18-15/h3-10,16H,2H2,1H3). 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) infrared absorption spectroscopy (IR)
DOI: 10.14272/yotwmbdnlpnrke-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-(1,3-benzothiazol-2-yl)-N-ethylaniline)
title: InChI=1S/C15H14N2S/c1-2-16-12-9-7-11(8-10-12)15-17-13-5-3-4-6-14(13)18-15/h3-10,16H,2H2,1H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 120 °C): 254 (100), 239 (93), 231 (14), 219 (13), 210 (10), 181 (40), 169 (18), 131 (44), 119 (18), 100 (10), 69 (83).
DOI: 10.14272/yotwmbdnlpnrke-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-(1,3-benzothiazol-2-yl)-N-ethylaniline)
title: InChI=1S/C15H14N2S/c1-2-16-12-9-7-11(8-10-12)15-17-13-5-3-4-6-14(13)18-15/h3-10,16H,2H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.00 (d, J = 7.9 Hz, 1H), 7.90–7.95 (m, 2H), 7.85 (dd, J = 7.9 Hz, J = 0.5 Hz, 1H), 7.45 (ddd, J = 7.7 Hz, J = 7.7 Hz, J = 1.2 Hz, 1H), 7.29–7.34 (m, 1H), 6.63–6.67 (m, 2H), 3.24 (q, J = 7.2 Hz, 2H), 1.29 (t, J = 7.2 Hz, 3H).Missing Signal (1H, OH).
DOI: 10.14272/yotwmbdnlpnrke-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (4-(1,3-benzothiazol-2-yl)-N-ethylaniline)
title: InChI=1S/C15H14N2S/c1-2-16-12-9-7-11(8-10-12)15-17-13-5-3-4-6-14(13)18-15/h3-10,16H,2H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3284, 2968, 2923, 2894, 2860, 2848, 1599, 1538, 1466, 1433, 1422, 1385, 1362, 1338, 1313, 1273, 1256, 1246, 1225, 1178, 1148, 1130, 1113, 1072, 1062, 1017, 1003, 956, 930, 855, 833, 824, 801, 753, 724, 695, 647, 624, 589, 551, 530, 506, 455, 432 cm–1.
DOI: 10.14272/nnxgmqktmuwzbw-uhfffaoysa-n.1
title: 6-methyl-2-phenyl-1,3-benzothiazole
title: InChI=1S/C14H11NS/c1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11/h2-9H,1H3

description: This dataset contains experimental data from a sample (6-methyl-2-phenyl-1,3-benzothiazole, InChI=1S/C14H11NS/c1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11/h2-9H,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS) mass spectrometry (MS)