cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6085/aa/pohx00_xxxitv2xlsr02_20120424.50.1
title: PISCO: Intertidal: site temperature data: Port Orford Head, Oregon, USA (POHX00)

description: This metadata record describes a mix of intertidal seawater and air temperature data collected at Port Orford Head, Oregon, USA by PISCO. Measurements were collected using Onset Tidbit V2 Temp Data Logger (Onset Computer Corp. UTBI-001) beginning 2012-04-24. Site temperature loggers are bolted down in a wire cage at various locations within each site. Mussel growth temperature loggers are bolted down in a wire cage at high, mid, or low positions within a mussel bed. Temperature is recorded at 5.0 minute intervals.
DOI: 10.6085/aa/pohx00_xxxitv2xhsr01_20120307.50.1
title: PISCO: Intertidal: site temperature data: Port Orford Head, Oregon, USA (POHX00)

description: This metadata record describes a mix of intertidal seawater and air temperature data collected at Port Orford Head, Oregon, USA by PISCO. Measurements were collected using Onset Tidbit V2 Temp Data Logger (Onset Computer Corp. UTBI-001) beginning 2012-03-07. Site temperature loggers are bolted down in a wire cage at various locations within each site. Mussel growth temperature loggers are bolted down in a wire cage at high, mid, or low positions within a mussel bed. Temperature is recorded at 5.0 minute intervals.
DOI: 10.6085/aa/pohx00_xxxitv2xhsr01_20120412.40.1
title: (:unkn)
DOI: 10.6085/aa/pohx00_xxxitv2xlsr03_20110105.40.1
title: (:unkn)
DOI: 10.6085/aa/pohx00_xxxitv2xlsr03_20110322.40.1
title: (:unkn)
DOI: 10.6085/aa/pohx00_xxxitv2xlsr03_20110421.40.1
title: (:unkn)
DOI: 10.6085/aa/pohx00_xxxitv2xlsr03_20110520.40.1
title: (:unkn)
DOI: 10.6085/aa/pohx00_xxxitv2xlsr03_20110620.40.1
title: (:unkn)
DOI: 10.6085/aa/pohx00_xxxitv2xlsr03_20110812.40.1
title: (:unkn)
DOI: 10.6085/aa/pohx00_xxxitv2xlsr03_20111213.40.1
title: (:unkn)
DOI: 10.6085/aa/pohx00_xxxitv2xlsr03_20120307.40.1
title: (:unkn)
DOI: 10.6085/aa/pohx00_xxxitv2xlsr03_20120412.40.1
title: (:unkn)
DOI: 10.5517/ccdc.csd.cc24z6w7
title: CCDC 1995249: Experimental Crystal Structure Determination

description: Related Article: Shohei Takahashi, Sayaka Nagai, Masatoshi Asami, Suguru Ito|2020|Mat.Advs.|1|708|doi:10.1039/D0MA00198H
DOI: 10.5517/ccdc.csd.cc24z6x8
title: CCDC 1995250: Experimental Crystal Structure Determination

description: Related Article: Shohei Takahashi, Sayaka Nagai, Masatoshi Asami, Suguru Ito|2020|Mat.Advs.|1|708|doi:10.1039/D0MA00198H
DOI: 10.5517/ccdc.csd.cc24z6y9
title: CCDC 1995251: Experimental Crystal Structure Determination

description: Related Article: Shohei Takahashi, Sayaka Nagai, Masatoshi Asami, Suguru Ito|2020|Mat.Advs.|1|708|doi:10.1039/D0MA00198H
DOI: 10.5517/ccdc.csd.cc24z6zb
title: CCDC 1995252: Experimental Crystal Structure Determination

description: Related Article: Shohei Takahashi, Sayaka Nagai, Masatoshi Asami, Suguru Ito|2020|Mat.Advs.|1|708|doi:10.1039/D0MA00198H
DOI: 10.6085/aa/proxxx_015adcp015r00_20100825.40.1
title: (:unkn)
DOI: 10.5517/ccdc.csd.cc24z70d
title: CCDC 1995253: Experimental Crystal Structure Determination

description: Related Article: Shohei Takahashi, Sayaka Nagai, Masatoshi Asami, Suguru Ito|2020|Mat.Advs.|1|708|doi:10.1039/D0MA00198H
DOI: 10.6085/aa/proxxx_015adcp015r00_20110222.40.1
title: (:unkn)
DOI: 10.6085/aa/proxxx_015adcp015r00_20110930.40.1
title: (:unkn)
DOI: 10.5517/ccdc.csd.cc24zrws
title: CCDC 1995776: Experimental Crystal Structure Determination

description: Related Article: Mykola Kravets, Grzegorz Sobczak, Nazar Rad, Iwona Misztalewska-Turkowicz, Oksana Danylyuk, Volodymyr Sashuk|2020|Chem.Commun.|56|8595|doi:10.1039/D0CC03633A
DOI: 10.6085/aa/proxxx_015mtbd009r00_20110222.40.1
title: (:unkn)
DOI: 10.6085/aa/proxxx_015mtbd009r00_20110523.40.1
title: (:unkn)
DOI: 10.6085/aa/proxxx_015mtbd003r00_20100825.40.1
title: (:unkn)
DOI: 10.6085/aa/proxxx_015mtbd009r00_20110930.40.1
title: (:unkn)
DOI: 10.6085/aa/proxxx_015mtbd009r00_20111229.40.1
title: (:unkn)
DOI: 10.6085/aa/proxxx_015mtbd003r00_20101123.40.1
title: (:unkn)
DOI: 10.6085/aa/proxxx_015mtbd003r00_20110222.40.1
title: (:unkn)
DOI: 10.6085/aa/proxxx_015mtbd003r00_20110523.40.1
title: (:unkn)
DOI: 10.6085/aa/proxxx_015mtbd003r00_20110930.40.1
title: (:unkn)
DOI: 10.6085/aa/proxxx_015mtbd003r00_20111229.40.1
title: (:unkn)
DOI: 10.6084/m9.figshare.11912157.v1
title: Supplementary Table of paper "Comparison of the UK'37, LDI, TEX86H and RI-OH temperature proxies in sediments from the northern shelf of the South China Sea"

description: This is the supplementary table to the paper named as "Comparison of the UK'37, LDI, TEX86H and RI-OH temperature proxies in sediments from the northern shelf of the South China Sea"
DOI: 10.17632/8xmm74z5rb.1
title: Data for: Time-course of Pain Threshold after Continuous Theta Burst Stimulation of Primary Somatosensory Cortex in Pain-free Subjects

description: Each sheet within the excel file contains one dependent variable.
DOI: 10.3886/e108163v3
title: Corpus, fluency, and truth

description: The experiment data for studies 2 (reaction time) and 3 (truth judgment).
DOI: 10.3886/e108163
title: Corpus, fluency, and truth

description: The experiment data for studies 2 (reaction time) and 3 (truth judgment).
DOI: 10.14272/kwuzcavkpcrjpo-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (N-ethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline)
title: InChI=1S/C16H16N2S/c1-3-17-13-7-5-12(6-8-13)16-18-14-9-4-11(2)10-15(14)19-16/h4-10,17H,3H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3 [77.0 ppm], ppm) δ = 167.8, 152.3, 150.5, 134.6, 134.3, 128.9 (2C), 127.5, 122.5, 121.8, 121.2, 112.3 (2C), 38.1, 21.5, 14.7.
DOI: 10.14272/kwuzcavkpcrjpo-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (N-ethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline)
title: InChI=1S/C16H16N2S/c1-3-17-13-7-5-12(6-8-13)16-18-14-9-4-11(2)10-15(14)19-16/h4-10,17H,3H2,1-2H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 120 °C): 268 (100), 253 (90), 231 (13), 181 (42), 131 (42), 126 (10), 119 (13), 69 (80), 45 (10). HRMS (C16H16N2S): Calcd 268.1029, Found 268.1028.
DOI: 10.14272/kwuzcavkpcrjpo-uhfffaoysa-n.1
title: N-ethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
title: InChI=1S/C16H16N2S/c1-3-17-13-7-5-12(6-8-13)16-18-14-9-4-11(2)10-15(14)19-16/h4-10,17H,3H2,1-2H3

description: This dataset contains experimental data from a sample (N-ethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline, InChI=1S/C16H16N2S/c1-3-17-13-7-5-12(6-8-13)16-18-14-9-4-11(2)10-15(14)19-16/h4-10,17H,3H2,1-2H3). 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/kwuzcavkpcrjpo-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (N-ethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline)
title: InChI=1S/C16H16N2S/c1-3-17-13-7-5-12(6-8-13)16-18-14-9-4-11(2)10-15(14)19-16/h4-10,17H,3H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3 [7.27 ppm], ppm) δ = 7.93–7.89 (m, 2H), 7.87 (d, J = 8.4 Hz, 1H), 7.64 (s, 1H), 7.25 (dd, J = 8.3 Hz, J = 1.1 Hz, 1H), 6.66–6.62 (m, 2H), 4.03 (br. s, 1H), 3.23 (q, J = 7.2 Hz, 2H), 2.48 (s, 3H), 1.29 (t, J = 7.2 Hz, 3H).
DOI: 10.14272/kwuzcavkpcrjpo-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (N-ethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline)
title: InChI=1S/C16H16N2S/c1-3-17-13-7-5-12(6-8-13)16-18-14-9-4-11(2)10-15(14)19-16/h4-10,17H,3H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3408, 2969, 2869, 1603, 1570, 1525, 1487, 1475, 1447, 1409, 1382, 1347, 1325, 1307, 1281, 1260, 1253, 1226, 1177, 1148, 1127, 1113, 1093, 1061, 1007, 967, 937, 889, 865, 828, 804, 722, 704, 688, 623, 564, 513, 433, 416, 389 cm–1.
DOI: 10.14272/azftwuqdmmnfbc-uhfffaoysa-n.1
title: 2-(4-ethoxyphenyl)-6-methyl-1,3-benzothiazole
title: InChI=1S/C16H15NOS/c1-3-18-13-7-5-12(6-8-13)16-17-14-9-4-11(2)10-15(14)19-16/h4-10H,3H2,1-2H3

description: This dataset contains experimental data from a sample (2-(4-ethoxyphenyl)-6-methyl-1,3-benzothiazole, InChI=1S/C16H15NOS/c1-3-18-13-7-5-12(6-8-13)16-17-14-9-4-11(2)10-15(14)19-16/h4-10H,3H2,1-2H3). 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/azftwuqdmmnfbc-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-(4-ethoxyphenyl)-6-methyl-1,3-benzothiazole)
title: InChI=1S/C16H15NOS/c1-3-18-13-7-5-12(6-8-13)16-17-14-9-4-11(2)10-15(14)19-16/h4-10H,3H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3 [77.0 ppm], ppm) δ = 166.8, 161.1, 152.3, 135.0, 134.8, 128.9 (2C), 127.7, 126.3, 122.2, 121.2, 114.7 (2C), 63.6, 21.5, 14.7. The spectrum contains impurities of ca. 12% according to a 1H NMR measurement with the same sample.
DOI: 10.14272/azftwuqdmmnfbc-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-(4-ethoxyphenyl)-6-methyl-1,3-benzothiazole)
title: InChI=1S/C16H15NOS/c1-3-18-13-7-5-12(6-8-13)16-17-14-9-4-11(2)10-15(14)19-16/h4-10H,3H2,1-2H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 110 °C): 269 (100), 241 (53), 121 (13). HRMS (C16H15ONS): Calcd 269.0869, Found 269.0870.
DOI: 10.14272/azftwuqdmmnfbc-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-(4-ethoxyphenyl)-6-methyl-1,3-benzothiazole)
title: InChI=1S/C16H15NOS/c1-3-18-13-7-5-12(6-8-13)16-17-14-9-4-11(2)10-15(14)19-16/h4-10H,3H2,1-2H3

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, 725, 701, 691, 632, 620, 568, 518, 439, 418, 396 cm–1.
DOI: 10.14272/azftwuqdmmnfbc-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-(4-ethoxyphenyl)-6-methyl-1,3-benzothiazole)
title: InChI=1S/C16H15NOS/c1-3-18-13-7-5-12(6-8-13)16-17-14-9-4-11(2)10-15(14)19-16/h4-10H,3H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3 [7.27 ppm], ppm) δ = 7.85–7.88 (m, 2H), 7.78 (d, J = 8.2 Hz, 1H), 7.52 (s, 1H), 7.12–7.16 (m, 1H), 6.82–6.86 (m, 2H), 3.96 (q, J = 7.0 Hz, 2H), 2.35 (s, 3H), 1.32 (t, J = 7.0 Hz, 3H). The spectrum contains impurities of ca. 12%.
DOI: 10.6085/aa/pts001_021mhp2006r00_20101015.40.1
title: (:unkn)
DOI: 10.14272/mvvgspcxhrfddr-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-(1,3-benzothiazol-2-yl)phenol)
title: InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.27 ppm], ppm) δ = 12.52 (s, 1H), 7.99 (d, J = 8.2 Hz, 1H), 7.90 (d, J = 7.5 Hz, 1H), 7.70 (dd, J = 7.9 Hz, J = 1.5 Hz, 1H), 7.51 (ddd, J = 7.7 Hz, J = 7.7 Hz, J = 1.2 Hz, 1H), 7.45–7.36 (m, 2H), 7.11 (dd, J = 8.3 Hz, J = 1.0 Hz, 1H), 6.99–6.92 (m, 1H).
DOI: 10.14272/mvvgspcxhrfddr-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-(1,3-benzothiazol-2-yl)phenol)
title: InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3 [77.0 ppm], ppm) δ = 169.51, 158.07, 151.98, 132.89, 132.72, 128.54, 126.82, 125.67, 122.32, 121.64, 119.65, 118.00, 116.92.
DOI: 10.14272/mvvgspcxhrfddr-uhfffaoysa-n.1
title: 2-(benzo[d]thiazol-2-yl)phenol
title: InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H

description: This dataset contains experimental data from a sample (2-(1,3-benzothiazol-2-yl)phenol, InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H). 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/mvvgspcxhrfddr-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-(1,3-benzothiazol-2-yl)phenol)
title: InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 426, 453, 486, 500, 516, 543, 579, 630, 660, 698, 724, 741, 756, 815, 858, 871, 932, 966, 1013, 1035, 1072, 1128, 1136, 1152, 1166, 1218, 1241, 1254, 1272, 1315, 1405, 1435, 1456, 1475, 1568, 1588, 1609, 1785, 2184, 3030, 3058 cm–1.
DOI: 10.6085/aa/proxxx_015mtbd014r00_20100825.40.1
title: (:unkn)
DOI: 10.14272/mvvgspcxhrfddr-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-(1,3-benzothiazol-2-yl)phenol)
title: InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 50 °C): 227 (100) [M+], 200 (10), 199 (27), 198 (15). HRMS (C13H9NOS): Calcd 227.0405, Found 227.0406.
DOI: 10.6085/aa/pts001_021mhp2006r00_20101128.40.1
title: (:unkn)
DOI: 10.14272/jfdrldcizjrmon-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenol)
title: InChI=1S/C14H8F3NOS/c15-14(16,17)9-3-6-12-11(7-9)18-13(20-12)8-1-4-10(19)5-2-8/h1-7,19H

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 90 °C): 295 (100) [M]+, 181 (17), 131 (19), 69 (34).
DOI: 10.14272/jfdrldcizjrmon-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenol)
title: InChI=1S/C14H8F3NOS/c15-14(16,17)9-3-6-12-11(7-9)18-13(20-12)8-1-4-10(19)5-2-8/h1-7,19H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 385, 433, 507, 537, 554, 613, 628, 671, 715, 737, 766, 823, 834, 894, 909, 970, 1010, 1057, 1081, 1119, 1149, 1169, 1210, 1228, 1248, 1261, 1286, 1305, 1319, 1330, 1358, 1418, 1475, 1523, 1596, 1775, 1905, 2213, 2917 cm–1.
DOI: 10.14272/jfdrldcizjrmon-uhfffaoysa-n.1
title: 4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenol
title: InChI=1S/C14H8F3NOS/c15-14(16,17)9-3-6-12-11(7-9)18-13(20-12)8-1-4-10(19)5-2-8/h1-7,19H

description: This dataset contains experimental data from a sample (4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenol, InChI=1S/C14H8F3NOS/c15-14(16,17)9-3-6-12-11(7-9)18-13(20-12)8-1-4-10(19)5-2-8/h1-7,19H). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) process mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/jfdrldcizjrmon-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenol)
title: InChI=1S/C14H8F3NOS/c15-14(16,17)9-3-6-12-11(7-9)18-13(20-12)8-1-4-10(19)5-2-8/h1-7,19H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Methanol-d4 [3.31 ppm], ppm) δ = 8.16 (s, 1H), 8.08 (d, J = 8.4 Hz, 1H), 7.94–7.91 (m, 2H), 7.60 (dd, J = 8.3 Hz, J = 1.2 Hz, 1H), 6.93–6.89 (m, 2H). Missing Signal ( 1H, OH) due to H-D exchange in CDCl3
DOI: 10.6085/aa/proxxx_015mtbd014r00_20101123.40.1
title: (:unkn)
DOI: 10.14272/jfdrldcizjrmon-uhfffaoysa-n/bfo0000015
title: process (4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenol)
title: InChI=1S/C14H8F3NOS/c15-14(16,17)9-3-6-12-11(7-9)18-13(20-12)8-1-4-10(19)5-2-8/h1-7,19H

description: dataset for process 19F NMR (376 MHz, Methanol-d4, ppm) δ = –63.3.
DOI: 10.14272/jfdrldcizjrmon-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenol)
title: InChI=1S/C14H8F3NOS/c15-14(16,17)9-3-6-12-11(7-9)18-13(20-12)8-1-4-10(19)5-2-8/h1-7,19H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Methanol-d4 [49.15 ppm], ppm) δ = 172.6, 162.7, 155.0, 139.8, 130.7 (2C), 130.0 (q, J = 32.5 Hz), 125.9 (q, J = 271 Hz), 125.6, 124.0, 122.2 (q, J = 3.6 Hz), 120.1 (q, J = 4.2 Hz), 117.2 (2C).
DOI: 10.14272/kgppssiwsdmfrl-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (6-methyl-2-(3,4,5-trifluorophenyl)-1,3-benzothiazole)
title: InChI=1S/C14H8F3NS/c1-7-2-3-11-12(4-7)19-14(18-11)8-5-9(15)13(17)10(16)6-8/h2-6H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3 [77.0 ppm], ppm) δ = 21.5, 111.3–111.6 (m, 2C), 121.4, 123.0, 128.4, 129.7 (td, J = 8.1 Hz, J = 4.6 Hz, 1C), 135.3, 136.2, 141.2 (dt, J = 257 Hz, J = 15.4 Hz, 1C), 151.4 (ddd, J = 250 Hz, J = 10.2 Hz, J = 4.0 Hz, 2C), 151.9, 163.0 (q, J = 3.1 Hz, 1C).
DOI: 10.14272/kgppssiwsdmfrl-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (6-methyl-2-(3,4,5-trifluorophenyl)-1,3-benzothiazole)
title: InChI=1S/C14H8F3NS/c1-7-2-3-11-12(4-7)19-14(18-11)8-5-9(15)13(17)10(16)6-8/h2-6H,1H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3, ppm) δ = –156.61 (1F), –132.76 (2F).
DOI: 10.6085/aa/proxxx_015mtbd009r00_20100825.40.1
title: (:unkn)
DOI: 10.6085/aa/proxxx_015mtbd014r00_20110222.40.1
title: (:unkn)
DOI: 10.14272/pdvshxsspvxjnh-uhfffaoysa-n.1
title: 2-phenyl-5-(trifluoromethyl)-1,3-benzothiazole
title: InChI=1S/C14H8F3NS/c15-14(16,17)10-6-7-12-11(8-10)18-13(19-12)9-4-2-1-3-5-9/h1-8H

description: This dataset contains experimental data from a sample (2-phenyl-5-(trifluoromethyl)-1,3-benzothiazole, InChI=1S/C14H8F3NS/c15-14(16,17)10-6-7-12-11(8-10)18-13(19-12)9-4-2-1-3-5-9/h1-8H). 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/pdvshxsspvxjnh-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-phenyl-5-(trifluoromethyl)-1,3-benzothiazole)
title: InChI=1S/C14H8F3NS/c15-14(16,17)10-6-7-12-11(8-10)18-13(19-12)9-4-2-1-3-5-9/h1-8H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 1650, 1604, 1575, 1509, 1480, 1446, 1419, 1327, 1318, 1255, 1231, 1216, 1172, 1141, 1107, 1073, 1052, 1029, 1000, 964, 920, 906, 898, 850, 823, 766, 738, 711, 700, 688, 680, 668, 613, 589, 569, 554, 537, 473, 455, 433, 387 cm–1.
DOI: 10.6085/aa/proxxx_015mtbd009r00_20101123.40.1
title: (:unkn)
DOI: 10.14272/hvpgyagvcofpjh-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-(4-fluorophenyl)-5-(trifluoromethyl)-1,3-benzothiazole)
title: InChI=1S/C14H7F4NS/c15-10-4-1-8(2-5-10)13-19-11-7-9(14(16,17)18)3-6-12(11)20-13/h1-7H

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 30 °C): 297 (100), 181 (11), 157 (13). HRMS (C14H7NF4S): Calcd 297.0235, Found 297.0236.
DOI: 10.14272/pdvshxsspvxjnh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-phenyl-5-(trifluoromethyl)-1,3-benzothiazole)
title: InChI=1S/C14H8F3NS/c15-14(16,17)10-6-7-12-11(8-10)18-13(19-12)9-4-2-1-3-5-9/h1-8H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3 [77.0 ppm], ppm) δ = 170.0, 153.6, 138.4, 132.9, 131.5, 129.1 (2C), 128.9 (q, J = 32.7 Hz), 127.6 (2C), 124.2 (q, J = 272 Hz), 122.1, 121.4 (q, J = 3.6 Hz), 120.3 (q, J = 3.6 Hz).
DOI: 10.6085/aa/proxxx_015mtbd014r00_20110523.40.1
title: (:unkn)
DOI: 10.14272/hvpgyagvcofpjh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-(4-fluorophenyl)-5-(trifluoromethyl)-1,3-benzothiazole)
title: InChI=1S/C14H7F4NS/c15-10-4-1-8(2-5-10)13-19-11-7-9(14(16,17)18)3-6-12(11)20-13/h1-7H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3 [7.27 ppm], ppm) δ = 8.29 (s, 1H), 8.01–8.10 (m, 2H), 7.95 (d, J = 8.4 Hz, 1H), 7.60 (d, J = 8.4 Hz, 1H), 7.14–7.21 (m, 2H). The spectrum contains impurities from ca. 6.70–7.40 ppm.
DOI: 10.14272/hvpgyagvcofpjh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-(4-fluorophenyl)-5-(trifluoromethyl)-1,3-benzothiazole)
title: InChI=1S/C14H7F4NS/c15-10-4-1-8(2-5-10)13-19-11-7-9(14(16,17)18)3-6-12(11)20-13/h1-7H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3 [77.0 ppm], ppm) δ = 116.3 (d, J = 22.4 Hz, 2C), 120.3 (q, J = 4.0 Hz, 1C), 121.5 (q, J = 3.4 Hz, 1C), 122.1 (s, 1C), 124.2 (q, J = 273 Hz, 1C), 129.0 (q, J = 32.3 Hz, 1C), 129.3 (d, J = 3.10 Hz, 1C), 129.6 (d, J = 9.1 Hz, 2C), 138.4 (s, 1C), 153.6 (s, 1C), 164.7 (d, J = 253 Hz, 1C), 168.6 (s, 1C). The spectrum contains impurities.
DOI: 10.14272/hvpgyagvcofpjh-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (2-(4-fluorophenyl)-5-(trifluoromethyl)-1,3-benzothiazole)
title: InChI=1S/C14H7F4NS/c15-10-4-1-8(2-5-10)13-19-11-7-9(14(16,17)18)3-6-12(11)20-13/h1-7H

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (471 MHz, CDCl3, ppm) δ = –61.80, -107.75.
DOI: 10.14272/pdvshxsspvxjnh-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-phenyl-5-(trifluoromethyl)-1,3-benzothiazole)
title: InChI=1S/C14H8F3NS/c15-14(16,17)10-6-7-12-11(8-10)18-13(19-12)9-4-2-1-3-5-9/h1-8H

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 50 °C): 279 (100), 231 (14), 181 (51), 157 (13), 131 (47), 119 (13), 100 (11), 69 (87). HRMS (C14H8NF3S): Calcd 279.0324, Found 279.0323.
DOI: 10.14272/pdvshxsspvxjnh-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (2-phenyl-5-(trifluoromethyl)-1,3-benzothiazole)
title: InChI=1S/C14H8F3NS/c15-14(16,17)10-6-7-12-11(8-10)18-13(19-12)9-4-2-1-3-5-9/h1-8H

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (471 MHz, CDCl3, ppm) δ = –61.71.
DOI: 10.14272/hvpgyagvcofpjh-uhfffaoysa-n.2
title: C14H7F4NS
title: InChI=1S/C14H7F4NS/c15-10-4-1-8(2-5-10)13-19-11-7-9(14(16,17)18)3-6-12(11)20-13/h1-7H

description: This dataset contains experimental data from a sample (2-(4-fluorophenyl)-5-(trifluoromethyl)-1,3-benzothiazole, InChI=1S/C14H7F4NS/c15-10-4-1-8(2-5-10)13-19-11-7-9(14(16,17)18)3-6-12(11)20-13/h1-7H). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) 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/pdvshxsspvxjnh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-phenyl-5-(trifluoromethyl)-1,3-benzothiazole)
title: InChI=1S/C14H8F3NS/c15-14(16,17)10-6-7-12-11(8-10)18-13(19-12)9-4-2-1-3-5-9/h1-8H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3 [7.27 ppm], ppm) δ = 8.34 (s, 1H), 8.06–8.10 (m, 2H), 7.96 (d, J = 8.4 Hz, 1H), 7.60 (dd, J = 8.4 Hz, J = 1.2 Hz, 1H), 7.47–7.53 (m, 3H).
DOI: 10.14272/hvpgyagvcofpjh-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-(4-fluorophenyl)-5-(trifluoromethyl)-1,3-benzothiazole)
title: InChI=1S/C14H7F4NS/c15-10-4-1-8(2-5-10)13-19-11-7-9(14(16,17)18)3-6-12(11)20-13/h1-7H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 1655, 1599, 1521, 1510, 1483, 1421, 1412, 1326, 1295, 1252, 1235, 1213, 1173, 1146, 1115, 1077, 1052, 1013, 966, 938, 911, 895, 887, 840, 813, 762, 737, 717, 710, 700, 669, 639, 625, 609, 588, 551, 534, 501, 458, 449, 425, 381 cm–1.
DOI: 10.6085/aa/pts001_021mhp2012r00_20101015.40.1
title: (:unkn)