cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/nnxgmqktmuwzbw-uhfffaoysa-n/chmo0000470.1
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) HRMS (C14H11NS): Calcd 225.0607, Found 225.0606.
DOI: 10.14272/vumznloqjgkgne-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C 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 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 146.2, 137.0, 132.3, 127.5, 118.9, 115.3, 20.0.
DOI: 10.14272/nnxgmqktmuwzbw-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H 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 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.08–8.12 (m, 2H), 7.99 (d, J = 8.4 Hz, 1H), 7.67 (s, 1H), 7.47–7.51 (m, 3H), 7.31 (dd, J = 8.4 Hz, J = 1.2 Hz, 1H), 2.50 (s, 3H). The spectrum contains ca.10% impurities.
DOI: 10.14272/oilolzjyrkdnoh-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C18H17F3N2S/c1-3-23(4-2)14-8-5-12(6-9-14)17-22-15-11-13(18(19,20)21)7-10-16(15)24-17/h5-11H,3-4H2,1-2H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 100 °C): 350 (68), 335 (100), 307 (24), 278 (15), 69 (11).
DOI: 10.14272/oilolzjyrkdnoh-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) ()
title: InChI=1S/C18H17F3N2S/c1-3-23(4-2)14-8-5-12(6-9-14)17-22-15-11-13(18(19,20)21)7-10-16(15)24-17/h5-11H,3-4H2,1-2H3

description: dataset for mass spectrometry (MS) HRMS (C18H17N2F3S): Calcd 350.1059, Found 350.1057.
DOI: 10.14272/oilolzjyrkdnoh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H17F3N2S/c1-3-23(4-2)14-8-5-12(6-9-14)17-22-15-11-13(18(19,20)21)7-10-16(15)24-17/h5-11H,3-4H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3 [7.27 ppm], ppm) δ = 8.24 (s, 1H), 7.90–7.95 (m, 2H), 7.89 (d, J = 8.2 Hz, 1H), 7.51 (dd, J = 8.2 Hz, J = 1.2 Hz, 1H), 6.71–6.69 (m, 2H), 3.42 (q, J = 7.1 Hz, 4H), 1.22 (t, J = 7.1 Hz, 6H).
DOI: 10.14272/oilolzjyrkdnoh-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C18H17F3N2S/c1-3-23(4-2)14-8-5-12(6-9-14)17-22-15-11-13(18(19,20)21)7-10-16(15)24-17/h5-11H,3-4H2,1-2H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (471 MHz, CDCl3, ppm) δ = –61.63.
DOI: 10.14272/oilolzjyrkdnoh-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C18H17F3N2S/c1-3-23(4-2)14-8-5-12(6-9-14)17-22-15-11-13(18(19,20)21)7-10-16(15)24-17/h5-11H,3-4H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2971, 2931, 2900, 2870, 1602, 1553, 1488, 1473, 1450, 1419, 1409, 1330, 1317, 1284, 1274, 1259, 1216, 1191, 1174, 1157, 1146, 1104, 1078, 1052, 1012, 1003, 959, 926, 909, 888, 817, 811, 784, 760, 731, 708, 691, 670, 630, 619, 551, 538, 513, 445, 413, 395, 387 cm–1.
DOI: 10.14272/oilolzjyrkdnoh-uhfffaoysa-n.1
title: C18H17F3N2S
title: InChI=1S/C18H17F3N2S/c1-3-23(4-2)14-8-5-12(6-9-14)17-22-15-11-13(18(19,20)21)7-10-16(15)24-17/h5-11H,3-4H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C18H17F3N2S/c1-3-23(4-2)14-8-5-12(6-9-14)17-22-15-11-13(18(19,20)21)7-10-16(15)24-17/h5-11H,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) mass spectrometry (MS)
DOI: 10.14272/oilolzjyrkdnoh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H17F3N2S/c1-3-23(4-2)14-8-5-12(6-9-14)17-22-15-11-13(18(19,20)21)7-10-16(15)24-17/h5-11H,3-4H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3 [77.0 ppm], ppm) δ = 170.7, 154.1, 150.1, 138.0, 129.3 (2C), 128.1 (q, J = 32.3 Hz), 124.4 (q, J = 272 Hz), 121.7 (2C), 120.2 (q, J = 3.6 Hz), 119.7, 119.0 (q, J = 4.0 Hz), 111.0, 44.4 (2C), 12.5 (2C).
DOI: 10.14272/mqtoxmpvdwkaqq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (6-methyl-2-(4-phenylphenyl)-1,3-benzothiazole)
title: InChI=1S/C20H15NS/c1-14-7-12-18-19(13-14)22-20(21-18)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 166.6, 152.3, 143.4, 140.1, 135.3, 135.2, 132.6, 128.9 (2C), 127.9, 127.9, 127.8 (2C), 127.5 (2C), 127.1 (2C), 122.6, 121.3, 21.5. The spectrum contains ca. 10% impurities (determined by 1H NMR).
DOI: 10.14272/mqtoxmpvdwkaqq-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (6-methyl-2-(4-phenylphenyl)-1,3-benzothiazole)
title: InChI=1S/C20H15NS/c1-14-7-12-18-19(13-14)22-20(21-18)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3025, 2910, 2848, 1603, 1559, 1497, 1477, 1446, 1403, 1374, 1342, 1311, 1287, 1257, 1242, 1228, 1202, 1182, 1157, 1131, 1121, 1038, 1021, 1003, 969, 950, 877, 844, 814, 760, 749, 721, 685, 632, 620, 568, 544, 508, 470, 433, 381 cm–1.
DOI: 10.14272/zrkuqaxomuspeh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-(methylamino)benzaldehyde)
title: InChI=1S/C8H9NO/c1-9-8-4-2-7(6-10)3-5-8/h2-6,9H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3 [77.0 ppm], ppm) δ = 190.3, 154.2, 132.3 (2C), 126.3, 111.4 (2C), 30.0.
DOI: 10.14272/ajkdfbctgmjqsv-uhfffaoysa-n.1
title: C15H12ClNOS
title: InChI=1S/C15H12ClNOS/c1-2-18-12-6-3-10(4-7-12)15-17-13-9-11(16)5-8-14(13)19-15/h3-9H,2H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C15H12ClNOS/c1-2-18-12-6-3-10(4-7-12)15-17-13-9-11(16)5-8-14(13)19-15/h3-9H,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/mqtoxmpvdwkaqq-uhfffaoysa-n.1
title: 6-methyl-2-(4-phenylphenyl)-1,3-benzothiazole
title: InChI=1S/C20H15NS/c1-14-7-12-18-19(13-14)22-20(21-18)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3

description: This dataset contains experimental data from a sample (6-methyl-2-(4-phenylphenyl)-1,3-benzothiazole, InChI=1S/C20H15NS/c1-14-7-12-18-19(13-14)22-20(21-18)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,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/mqtoxmpvdwkaqq-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (6-methyl-2-(4-phenylphenyl)-1,3-benzothiazole)
title: InChI=1S/C20H15NS/c1-14-7-12-18-19(13-14)22-20(21-18)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 120 °C): 301 (100), 181 (12), 131 (10), 69 (17). HRMS (C20H15NS): Calcd 301.0920, Found 301.0918.
DOI: 10.14272/mqtoxmpvdwkaqq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (6-methyl-2-(4-phenylphenyl)-1,3-benzothiazole)
title: InChI=1S/C20H15NS/c1-14-7-12-18-19(13-14)22-20(21-18)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-13H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.18–8.14 (m, 2H), 7.98 (d, J = 8.4 Hz, 1H), 7.75–7.69 (m, 3H), 7.69–7.65 (m, 2H), 7.51–7.47 (m, 2H), 7.43-7.40 (m, 1H), 7.33 (dd, J = 8.2 Hz, J = 1.2 Hz, 1H), 2.52 (s, 3H). The spectrum contains ca. 10% impurities.
DOI: 10.14272/zrkuqaxomuspeh-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (4-(methylamino)benzaldehyde)
title: InChI=1S/C8H9NO/c1-9-8-4-2-7(6-10)3-5-8/h2-6,9H,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3352, 3148, 3042, 2989, 2931, 2901, 2859, 2821, 2734, 1658, 1585, 1570, 1535, 1488, 1470, 1450, 1434, 1420, 1398, 1342, 1307, 1283, 1228, 1158, 1107, 1065, 998, 967, 823, 775, 719, 644, 633, 602, 510, 479 cm–1.
DOI: 10.14272/ajkdfbctgmjqsv-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C15H12ClNOS/c1-2-18-12-6-3-10(4-7-12)15-17-13-9-11(16)5-8-14(13)19-15/h3-9H,2H2,1H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 90 °C): 289/291 (100/36), 261 (86), 232 (14), 197 (10), 181 (14), 142 (17), 131 (16), 107 (13), 69 (26). HRMS (C15H12ONClS): Calcd 289.0323, Found 289.0325.
DOI: 10.14272/ajkdfbctgmjqsv-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C15H12ClNOS/c1-2-18-12-6-3-10(4-7-12)15-17-13-9-11(16)5-8-14(13)19-15/h3-9H,2H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 169.6, 161.5, 155.0, 133.0, 132.0, 129.1 (2C), 125.7, 125.0, 122.5, 122.1, 114.7 (2C), 63.6, 14.6.
DOI: 10.14272/ajkdfbctgmjqsv-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C15H12ClNOS/c1-2-18-12-6-3-10(4-7-12)15-17-13-9-11(16)5-8-14(13)19-15/h3-9H,2H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2982, 2921, 2873, 1604, 1586, 1575, 1543, 1521, 1481, 1470, 1454, 1444, 1429, 1419, 1410, 1386, 1364, 1306, 1248, 1222, 1174, 1141, 1116, 1076, 1065, 1044, 1007, 964, 922, 901, 860, 844, 835, 827, 814, 797, 733, 702, 663, 624, 582, 564, 514, 503, 464, 452, 429, 385 cm–1.
DOI: 10.14272/zrkuqaxomuspeh-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-(methylamino)benzaldehyde)
title: InChI=1S/C8H9NO/c1-9-8-4-2-7(6-10)3-5-8/h2-6,9H,1H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 20 °C): 228 (38), 149 (12), 134 (100), 121 (56), 109 (23), 107 (24), 91 (39), 77 (51), 65 (17), 51 (14).
DOI: 10.14272/zrkuqaxomuspeh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-(methylamino)benzaldehyde)
title: InChI=1S/C8H9NO/c1-9-8-4-2-7(6-10)3-5-8/h2-6,9H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3 [7.27 ppm], ppm) δ = 9.72 (s, 1H), 7.71–7.69 (m, 2H), 6.62–60 (m, 2H), 4.60 (br. s, 1H), 2.92 (s, 3H).
DOI: 10.6085/aa/proxxx_015mtbd014r00_20081124.50.1
title: PISCO: Physical Oceanography: moored temperature data: Santa Cruz Island, California, USA (PROXXX)

description: This metadata record describes moored seawater temperature data collected at Santa Cruz Island, California, USA, by PISCO. Measurements were collected using a StowAway Tidbit Temperature Logger (Onset Computer Corp. TBIC32+4+27) beginning 2008-11-24. The instrument depth was 014 meters, in an overall water depth of 15 meters (both relative to Mean Sea Level, MSL). The sampling interval was 2.0 minutes.
DOI: 10.14272/ajkdfbctgmjqsv-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C15H12ClNOS/c1-2-18-12-6-3-10(4-7-12)15-17-13-9-11(16)5-8-14(13)19-15/h3-9H,2H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.00 (d, J = 2.0 Hz, 1H), 7.94–8.00 (m, 2H), 7.72 (d, J = 8.5 Hz, 1H), 7.29 (dd, J = 8.5 Hz, J = 2.1 Hz, 1H), 6.92–6.97 (m, 2H), 4.07 (q, J = 7.0 Hz, 2H), 1.45 (t, J = 7.0 Hz, 3H).
DOI: 10.14272/zrkuqaxomuspeh-uhfffaoysa-n.1
title: 4-(methylamino)benzaldehyde
title: InChI=1S/C8H9NO/c1-9-8-4-2-7(6-10)3-5-8/h2-6,9H,1H3

description: This dataset contains experimental data from a sample (4-(methylamino)benzaldehyde, InChI=1S/C8H9NO/c1-9-8-4-2-7(6-10)3-5-8/h2-6,9H,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)
DOI: 10.14272/zrkuqaxomuspeh-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) (4-(methylamino)benzaldehyde)
title: InChI=1S/C8H9NO/c1-9-8-4-2-7(6-10)3-5-8/h2-6,9H,1H3

description: dataset for mass spectrometry (MS) HRMS (C8H9ON): Calcd 135.0679, Found 135.0680.
DOI: 10.14272/qbgraelmpimnon-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-(ethylamino)benzaldehyde)
title: InChI=1S/C9H11NO/c1-2-10-9-5-3-8(7-11)4-6-9/h3-7,10H,2H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3 [77.0 ppm], ppm) δ = 190.2, 153.3, 132.3 (2C), 126.4, 111.7 (2C), 37.9, 14.5.
DOI: 10.14272/qbgraelmpimnon-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (4-(ethylamino)benzaldehyde)
title: InChI=1S/C9H11NO/c1-2-10-9-5-3-8(7-11)4-6-9/h3-7,10H,2H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3291, 2967, 2923, 2870, 2852, 2809, 2731, 1661, 1586, 1570, 1566, 1562, 1545, 1534, 1508, 1498, 1474, 1451, 1437, 1427, 1395, 1378, 1366, 1342, 1310, 1283, 1231, 1147, 1109, 1062, 1044, 997, 824, 810, 634, 619, 590, 583, 510, 426 cm–1.
DOI: 10.14272/bqldyarbqzeeiu-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) (2-(3,4,5-trifluorophenyl)-1,3-benzothiazole)
title: InChI=1S/C13H6F3NS/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H

description: dataset for mass spectrometry (MS) HRMS (C12H7NF3S): Calcd 266.0251, Found 266.0251.
DOI: 10.14272/bqldyarbqzeeiu-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-(3,4,5-trifluorophenyl)-1,3-benzothiazole)
title: InChI=1S/C13H6F3NS/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 111.5–111.8 (m, 2C), 121.7, 123.6, 125.9, 126.8, 129.6 (td, J = 8.1 Hz, J = 4.6 Hz, 1C), 135.2, 141.5 (dt, J = 257 Hz, J = 15.4 Hz, 1C), 151.4 (ddd, J = 251 Hz, J = 10.3 Hz, J = 3.9 Hz, 2C), 153.9, 164.1 (q, J = 3.1 Hz, 1C).
DOI: 10.14272/qbgraelmpimnon-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-(ethylamino)benzaldehyde)
title: InChI=1S/C9H11NO/c1-2-10-9-5-3-8(7-11)4-6-9/h3-7,10H,2H2,1H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 60 °C): 149 (100), 134 (99). HRMS (C9H11ON): Calcd 149.0835, Found 149.0835.
DOI: 10.14272/bqldyarbqzeeiu-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-(3,4,5-trifluorophenyl)-1,3-benzothiazole)
title: InChI=1S/C13H6F3NS/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.07 (d, J = 8.2 Hz, 1H), 7.91 (d, J = 7.9 Hz, 1H), 7.68–7.78 (m, 2H), 7.49–7.57 (m, 1H), 7.40–7.47 (m, 1H).
DOI: 10.14272/bqldyarbqzeeiu-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (2-(3,4,5-trifluorophenyl)-1,3-benzothiazole)
title: InChI=1S/C13H6F3NS/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3, ppm) δ = –156.17, –132.54.
DOI: 10.14272/qbgraelmpimnon-uhfffaoysa-n.1
title: 4-(ethylamino)benzaldehyde
title: InChI=1S/C9H11NO/c1-2-10-9-5-3-8(7-11)4-6-9/h3-7,10H,2H2,1H3

description: This dataset contains experimental data from a sample (4-(ethylamino)benzaldehyde, InChI=1S/C9H11NO/c1-2-10-9-5-3-8(7-11)4-6-9/h3-7,10H,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/qbgraelmpimnon-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-(ethylamino)benzaldehyde)
title: InChI=1S/C9H11NO/c1-2-10-9-5-3-8(7-11)4-6-9/h3-7,10H,2H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.27 ppm], ppm) δ = 9.73 (s, 1H), 7.72–7.68 (m, 2H), 6.62–6.60 (m, 2H), 4.37 (br. s., 1H), 3.26 (q, J = 7.2 Hz, 2H), 1.30 (t, J = 7.2 Hz, 3H).
DOI: 10.14272/awyksnjsudjlbz-uhfffaoysa-n.1
title: 2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
title: InChI=1S/C15H13NOS/c1-10-3-8-13-14(9-10)18-15(16-13)11-4-6-12(17-2)7-5-11/h3-9H,1-2H3

description: This dataset contains experimental data from a sample (2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole, InChI=1S/C15H13NOS/c1-10-3-8-13-14(9-10)18-15(16-13)11-4-6-12(17-2)7-5-11/h3-9H,1-2H3). 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/awyksnjsudjlbz-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole)
title: InChI=1S/C15H13NOS/c1-10-3-8-13-14(9-10)18-15(16-13)11-4-6-12(17-2)7-5-11/h3-9H,1-2H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 100 °C): 331 (11), 262 (10), 255 (100), 243 (10), 240 (20), 231 (16), 212 (12), 181 (65), 131 (63), 119 (12), 100 (10), 69 (62). HRMS (C15H13ONS): Calcd 255.0712, Found 255.0713.
DOI: 10.14272/awyksnjsudjlbz-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole)
title: InChI=1S/C15H13NOS/c1-10-3-8-13-14(9-10)18-15(16-13)11-4-6-12(17-2)7-5-11/h3-9H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.00–8.04 (m, 2H), 7.92 (d, J = 8.4 Hz, 1H), 7.66 (s, 1H), 7.28 (dd, J = 8.2 Hz, J = 1.2 Hz, 1H), 6.98–7.02 (m, 2H), 3.88 (s, 3H), 2.49 (s, 3H).
DOI: 10.14272/awyksnjsudjlbz-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole)
title: InChI=1S/C15H13NOS/c1-10-3-8-13-14(9-10)18-15(16-13)11-4-6-12(17-2)7-5-11/h3-9H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 166.8, 161.7, 152.3, 135.0, 134.9, 128.9 (2C), 127.7, 126.6, 122.3, 121.3, 114.3 (2C), 55.4, 21.5.
DOI: 10.14272/awyksnjsudjlbz-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole)
title: InChI=1S/C15H13NOS/c1-10-3-8-13-14(9-10)18-15(16-13)11-4-6-12(17-2)7-5-11/h3-9H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2982, 2931, 2916, 1602, 1573, 1556, 1518, 1484, 1473, 1450, 1412, 1388, 1308, 1297, 1284, 1253, 1226, 1168, 1131, 1116, 1041, 1010, 970, 919, 872, 838, 821, 794, 701, 691, 632, 620, 568, 518, 439, 396 cm–1.
DOI: 10.14272/bqldyarbqzeeiu-uhfffaoysa-n.3
title: C13H6F3NS
title: InChI=1S/C13H6F3NS/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H

description: This dataset contains experimental data from a sample (2-(3,4,5-trifluorophenyl)-1,3-benzothiazole, InChI=1S/C13H6F3NS/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) mass spectrometry (MS) mass spectrometry (MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.14272/bqldyarbqzeeiu-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-(3,4,5-trifluorophenyl)-1,3-benzothiazole)
title: InChI=1S/C13H6F3NS/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2919, 2851, 1625, 1602, 1557, 1536, 1492, 1459, 1438, 1428, 1350, 1310, 1275, 1258, 1244, 1203, 1171, 1160, 1123, 1043, 1026, 943, 894, 871, 843, 824, 758, 745, 728, 708, 701, 657, 611, 582, 518, 433 cm–1.
DOI: 10.14272/bqldyarbqzeeiu-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-(3,4,5-trifluorophenyl)-1,3-benzothiazole)
title: InChI=1S/C13H6F3NS/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 30 °C): 265 (100), 108 (22), 69 (27).
DOI: 10.14272/fmwjfhmfgdmyab-uhfffaoysa-n.1
title: 4-(propan-2-ylamino)benzaldehyde
title: InChI=1S/C10H13NO/c1-8(2)11-10-5-3-9(7-12)4-6-10/h3-8,11H,1-2H3

description: This dataset contains experimental data from a sample (4-(propan-2-ylamino)benzaldehyde, InChI=1S/C10H13NO/c1-8(2)11-10-5-3-9(7-12)4-6-10/h3-8,11H,1-2H3). 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/fmwjfhmfgdmyab-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-(propan-2-ylamino)benzaldehyde)
title: InChI=1S/C10H13NO/c1-8(2)11-10-5-3-9(7-12)4-6-10/h3-8,11H,1-2H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 30 °C): 381 (13), 331 (18), 281 (13), 262 (15), 181 (26), 163 (55), 148 (21), 131 (100), 119 (19). HRMS (C10H13ON): Calcd 163.0992, Found 163.0990.
DOI: 10.14272/fmwjfhmfgdmyab-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-(propan-2-ylamino)benzaldehyde)
title: InChI=1S/C10H13NO/c1-8(2)11-10-5-3-9(7-12)4-6-10/h3-8,11H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3 [77.0 ppm], ppm) δ = 190.2, 152.5, 132.4 (2C), 126.1, 112.0 (2C), 44.0, 23.7 (2C).
DOI: 10.14272/fyomffhhdxmmiu-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (N,N-dimethyl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline)
title: InChI=1S/C16H13F3N2S/c1-21(2)12-6-3-10(4-7-12)15-20-13-9-11(16(17,18)19)5-8-14(13)22-15/h3-9H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3 [77.0 ppm], ppm) δ = 171.4, 153.3, 152.4, 137.5, 128.7 (2C), 128.4 (q, J = 32.2 Hz), 124.0 (q, J = 272 Hz), 121.7 (q, J = 4.9 Hz), 120.3 (q, J = 3.4 Hz), 119.8, 118.2–118.8 (m, 1C), 111.4 (2C), 39.6 (2C).
DOI: 10.14272/fmwjfhmfgdmyab-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (4-(propan-2-ylamino)benzaldehyde)
title: InChI=1S/C10H13NO/c1-8(2)11-10-5-3-9(7-12)4-6-10/h3-8,11H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3338, 2967, 2928, 2896, 2872, 2809, 2731, 1662, 1586, 1568, 1526, 1500, 1461, 1430, 1385, 1341, 1306, 1272, 1228, 1151, 1124, 1113, 997, 981, 944, 862, 823, 656, 640, 617, 565, 515, 470 cm–1.
DOI: 10.14272/fyomffhhdxmmiu-uhfffaoysa-n.1
title: N,N-dimethyl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline
title: InChI=1S/C16H13F3N2S/c1-21(2)12-6-3-10(4-7-12)15-20-13-9-11(16(17,18)19)5-8-14(13)22-15/h3-9H,1-2H3

description: This dataset contains experimental data from a sample (N,N-dimethyl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline, InChI=1S/C16H13F3N2S/c1-21(2)12-6-3-10(4-7-12)15-20-13-9-11(16(17,18)19)5-8-14(13)22-15/h3-9H,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)