cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/rfcpfcdgjghfcx-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H8F4N2/c15-11-4-1-9(2-5-11)12-8-20-7-10(14(16,17)18)3-6-13(20)19-12/h1-8H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 1647 (w), 1611 (w), 1599 (w), 1550 (vw), 1489 (s), 1441 (w), 1417 (vw), 1383 (w), 1334 (vs), 1312 (vs), 1271 (w), 1234 (s), 1225 (s), 1200 (w), 1167 (vs), 1119 (vs), 1052 (vs), 1014 (w), 970 (w), 939 (m), 870 (m), 846 (vs), 822 (m), 806 (vs), 759 (m), 744 (vs), 708 (m), 670 (vs), 640 (s), 582 (w), 565 (w), 535 (m), 516 (vs), 443 (m), 428 (w), 418 (w), 392 (s) cm–1.
DOI: 10.14272/rfcpfcdgjghfcx-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H8F4N2/c15-11-4-1-9(2-5-11)12-8-20-7-10(14(16,17)18)3-6-13(20)19-12/h1-8H

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/rfcpfcdgjghfcx-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H8F4N2/c15-11-4-1-9(2-5-11)12-8-20-7-10(14(16,17)18)3-6-13(20)19-12/h1-8H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/rfcpfcdgjghfcx-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H8F4N2/c15-11-4-1-9(2-5-11)12-8-20-7-10(14(16,17)18)3-6-13(20)19-12/h1-8H

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/raezjuwraypjar-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C14H7ClF4N2/c15-10-5-8(14(17,18)19)6-21-7-12(20-13(10)21)9-3-1-2-4-11(9)16/h1-7H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 160.4 (d, J = 249.7 Hz, Cq), 142.0 (Cq), 141.6 (d, J = 1.5 Hz, Cq), 130.0 (d, J = 8.5 Hz, CH), 129.4 (d, J = 3.1 Hz, CH), 124.6 (d, J = 3.1 Hz, CH), 124.3 (Cq), 123.3 (q, J = 6.2 Hz, CH), 122.9 (q, J = 271.5 Hz, CF3), 120.3 (d, J = 11.6 Hz, Cq), 119.7 (q, J = 2.7 Hz, CH), 116.7 (q, J = 34.9 Hz, Cq), 115.6 (d, J = 22.3 Hz, CH), 114.6 (d, J = 15.4 Hz, CH).
DOI: 10.14272/raezjuwraypjar-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C14H7ClF4N2/c15-10-5-8(14(17,18)19)6-21-7-12(20-13(10)21)9-3-1-2-4-11(9)16/h1-7H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/raezjuwraypjar-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C14H7ClF4N2/c15-10-5-8(14(17,18)19)6-21-7-12(20-13(10)21)9-3-1-2-4-11(9)16/h1-7H

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/raezjuwraypjar-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C14H7ClF4N2/c15-10-5-8(14(17,18)19)6-21-7-12(20-13(10)21)9-3-1-2-4-11(9)16/h1-7H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/raezjuwraypjar-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) ()
title: InChI=1S/C14H7ClF4N2/c15-10-5-8(14(17,18)19)6-21-7-12(20-13(10)21)9-3-1-2-4-11(9)16/h1-7H

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/raezjuwraypjar-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C14H7ClF4N2/c15-10-5-8(14(17,18)19)6-21-7-12(20-13(10)21)9-3-1-2-4-11(9)16/h1-7H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3166 (w), 3111 (w), 1728 (vw), 1642 (w), 1581 (w), 1547 (w), 1482 (m), 1448 (w), 1431 (vw), 1384 (m), 1377 (m), 1350 (s), 1330 (vs), 1309 (vs), 1255 (w), 1239 (w), 1222 (m), 1205 (m), 1190 (s), 1174 (s), 1164 (s), 1152 (s), 1125 (vs), 1071 (vs), 1028 (m), 994 (s), 945 (w), 936 (w), 892 (s), 870 (s), 858 (vs), 827 (w), 800 (s), 771 (vs), 749 (vs), 741 (vs), 717 (vs), 703 (vs), 673 (s), 647 (w), 639 (w), 592 (w), 579 (w), 565 (m), 531 (m), 516 (m), 492 (m), 469 (m), 435 (m), 408 (w), 392 (w) cm–1.
DOI: 10.14272/raezjuwraypjar-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C14H7ClF4N2/c15-10-5-8(14(17,18)19)6-21-7-12(20-13(10)21)9-3-1-2-4-11(9)16/h1-7H

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, ppm) δ = -62.07 (s), -113.69–-113.76 (m).
DOI: 10.14272/raezjuwraypjar-uhfffaoysa-n.1
title: 8-chloro-2-(2-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
title: InChI=1S/C14H7ClF4N2/c15-10-5-8(14(17,18)19)6-21-7-12(20-13(10)21)9-3-1-2-4-11(9)16/h1-7H

description: This dataset contains experimental data from a sample (InChI=1S/C14H7ClF4N2/c15-10-5-8(14(17,18)19)6-21-7-12(20-13(10)21)9-3-1-2-4-11(9)16/h1-7H). 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) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) heteronuclear single quantum coherence (HSQC) heteronuclear multiple bond coherence (HMBC) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/raezjuwraypjar-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C14H7ClF4N2/c15-10-5-8(14(17,18)19)6-21-7-12(20-13(10)21)9-3-1-2-4-11(9)16/h1-7H

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 50 °C), m/z (%): 314/316 (100/31) [M]+, 134 (11).HRMS–EI (C14H7N2ClF4) (m/z): [M]+ Calcd 314.0228; Found 314.0227.
DOI: 10.14272/raezjuwraypjar-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C14H7ClF4N2/c15-10-5-8(14(17,18)19)6-21-7-12(20-13(10)21)9-3-1-2-4-11(9)16/h1-7H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.47–8.43 (m, 2H), 8.19 (d, J = 3.7 Hz, 1H), 7.42 (d, J = 1.5 Hz, 1H), 7.39–7.33 (m, 1H), 7.31–7.27 (m, 1H), 7.16 (ddd, J = 1.2 Hz, J = 11.5 Hz, J = 8.1 Hz, 1H).
DOI: 10.14272/kljoqbvcglpiko-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C14H11ClN2/c1-10-7-12(15)14-16-13(9-17(14)8-10)11-5-3-2-4-6-11/h2-9H,1H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/kljoqbvcglpiko-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C14H11ClN2/c1-10-7-12(15)14-16-13(9-17(14)8-10)11-5-3-2-4-6-11/h2-9H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.98–7.95 (m, 2H), 7.79–7.78 (m, 1H), 7.71 (bs, 1H), 7.44–7.40 (m, 2H), 7.35–7.31 (m, 1H), 7.08 (d, J = 1.3 Hz, 1H), 2.28 (d, J = 1.0 Hz, 3H).
DOI: 10.14272/kljoqbvcglpiko-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C14H11ClN2/c1-10-7-12(15)14-16-13(9-17(14)8-10)11-5-3-2-4-6-11/h2-9H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/kljoqbvcglpiko-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) ()
title: InChI=1S/C14H11ClN2/c1-10-7-12(15)14-16-13(9-17(14)8-10)11-5-3-2-4-6-11/h2-9H,1H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/kljoqbvcglpiko-uhfffaoysa-n.1
title: 8-chloro-6-methyl-2-phenylimidazo[1,2-a]pyridine
title: InChI=1S/C14H11ClN2/c1-10-7-12(15)14-16-13(9-17(14)8-10)11-5-3-2-4-6-11/h2-9H,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C14H11ClN2/c1-10-7-12(15)14-16-13(9-17(14)8-10)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) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) heteronuclear single quantum coherence (HSQC) heteronuclear multiple bond coherence (HMBC) correlation spectroscopy (COSY) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/kljoqbvcglpiko-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C14H11ClN2/c1-10-7-12(15)14-16-13(9-17(14)8-10)11-5-3-2-4-6-11/h2-9H,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3128 (w), 3041 (w), 2915 (w), 1720 (w), 1686 (vw), 1636 (w), 1604 (w), 1524 (w), 1473 (m), 1443 (w), 1415 (m), 1340 (m), 1303 (w), 1283 (w), 1264 (w), 1217 (m), 1210 (m), 1149 (w), 1082 (w), 1068 (w), 1020 (w), 943 (w), 918 (w), 901 (m), 846 (w), 823 (vs), 778 (s), 722 (vs), 691 (vs), 637 (w), 616 (w), 565 (m), 558 (w), 528 (s), 496 (w), 419 (m), 404 (w) cm–1.
DOI: 10.14272/kljoqbvcglpiko-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C14H11ClN2/c1-10-7-12(15)14-16-13(9-17(14)8-10)11-5-3-2-4-6-11/h2-9H,1H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 40 °C), m/z (%): 242/244 (100/31) [M]+,.HRMS–EI (C14H11N2Cl) (m/z): [M]+ Calcd 242.0605; Found 242.0605.
DOI: 10.14272/kljoqbvcglpiko-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C14H11ClN2/c1-10-7-12(15)14-16-13(9-17(14)8-10)11-5-3-2-4-6-11/h2-9H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 146.0 (Cq), 142.0 (Cq), 133.3 (Cq), 128.6 (2C, CH), 128.0 (CH), 126.5 (CH), 126.2 (2C, CH), 122.4 (Cq), 122.1 (CH), 121.9 (Cq), 109.4 (CH), 17.9 (CH3).
DOI: 10.14272/kljoqbvcglpiko-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C14H11ClN2/c1-10-7-12(15)14-16-13(9-17(14)8-10)11-5-3-2-4-6-11/h2-9H,1H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/kljoqbvcglpiko-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C14H11ClN2/c1-10-7-12(15)14-16-13(9-17(14)8-10)11-5-3-2-4-6-11/h2-9H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/athnsqrfcxrpmb-uhfffaoysa-n.1
title: 8-chloro-2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
title: InChI=1S/C14H8ClF3N2/c15-11-6-10(14(16,17)18)7-20-8-12(19-13(11)20)9-4-2-1-3-5-9/h1-8H

description: This dataset contains experimental data from a sample (8-chloro-2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine, InChI=1S/C14H8ClF3N2/c15-11-6-10(14(16,17)18)7-20-8-12(19-13(11)20)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) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) heteronuclear single quantum coherence (HSQC) heteronuclear multiple bond coherence (HMBC) mass spectrometry (MS) infrared absorption spectroscopy (IR) single crystal X-ray diffraction (single-crystal X-ray diffraction)
DOI: 10.14272/athnsqrfcxrpmb-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) (8-chloro-2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H8ClF3N2/c15-11-6-10(14(16,17)18)7-20-8-12(19-13(11)20)9-4-2-1-3-5-9/h1-8H

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/athnsqrfcxrpmb-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (8-chloro-2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H8ClF3N2/c15-11-6-10(14(16,17)18)7-20-8-12(19-13(11)20)9-4-2-1-3-5-9/h1-8H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/athnsqrfcxrpmb-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (8-chloro-2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H8ClF3N2/c15-11-6-10(14(16,17)18)7-20-8-12(19-13(11)20)9-4-2-1-3-5-9/h1-8H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.43 (t, J = 1.2 Hz, 1H), 8.01–7.98 (m, 3H), 7.48–7.41 (m, 2H), 7.42–7.34 (m, 2H).Impurities: This spectrum contains methylene chloride at 5.58 ppm, cyclohexane at 1.43 ppm, grease at 1.34–1.26 ppm and silicon grease at 0.08 ppm.
DOI: 10.14272/athnsqrfcxrpmb-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (8-chloro-2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H8ClF3N2/c15-11-6-10(14(16,17)18)7-20-8-12(19-13(11)20)9-4-2-1-3-5-9/h1-8H

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/athnsqrfcxrpmb-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (8-chloro-2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H8ClF3N2/c15-11-6-10(14(16,17)18)7-20-8-12(19-13(11)20)9-4-2-1-3-5-9/h1-8H

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 30 °C), m/z (%): 332 (16), 330 (25), 296/298 (100/32) [M]+, 196/198 (58/20), 141 (11), 116 (16), 105 (97), 89 (10), 77 (46), 71 (11), 58 (37), 51 (15).HRMS–EI (C14H8N2ClF3) (m/z): [M]+ Calcd 296.0323; Found 296.0325.
DOI: 10.14272/athnsqrfcxrpmb-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (8-chloro-2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H8ClF3N2/c15-11-6-10(14(16,17)18)7-20-8-12(19-13(11)20)9-4-2-1-3-5-9/h1-8H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 148.3 (Cq), 142.8 (Cq), 132.3 (Cq), 128.9 (2C, CH), 128.8 (CH), 126.5 (2C, CH), 124.3 (Cq), 123.1 (q, J = 5.8 Hz, CH), 122.9 (q, J = 271.3 Hz, CF3), 119.5 (q, J = 3.1 Hz, CH), 116.7 (q, J = 34.7 Hz, Cq), 110.8 (CH).
DOI: 10.14272/athnsqrfcxrpmb-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (8-chloro-2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H8ClF3N2/c15-11-6-10(14(16,17)18)7-20-8-12(19-13(11)20)9-4-2-1-3-5-9/h1-8H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/athnsqrfcxrpmb-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (8-chloro-2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H8ClF3N2/c15-11-6-10(14(16,17)18)7-20-8-12(19-13(11)20)9-4-2-1-3-5-9/h1-8H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3122 (w), 3092 (w), 3057 (w), 2924 (w), 2853 (vw), 1714 (w), 1701 (w), 1642 (w), 1598 (w), 1541 (vw), 1476 (w), 1449 (w), 1434 (w), 1377 (m), 1344 (s), 1332 (m), 1316 (vs), 1272 (m), 1237 (w), 1224 (w), 1191 (m), 1171 (vs), 1118 (vs), 1072 (vs), 1027 (m), 992 (s), 958 (m), 933 (m), 922 (w), 890 (s), 857 (vs), 815 (m), 781 (s), 758 (w), 747 (w), 727 (vs), 710 (vs), 691 (vs), 680 (s), 646 (s), 640 (m), 616 (m), 579 (w), 567 (w), 544 (w), 535 (w), 524 (m), 492 (m), 450 (s), 407 (w), 398 (w), 390 (w) cm–1.
DOI: 10.14272/athnsqrfcxrpmb-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (8-chloro-2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H8ClF3N2/c15-11-6-10(14(16,17)18)7-20-8-12(19-13(11)20)9-4-2-1-3-5-9/h1-8H

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, ppm) δ = -62.02.
DOI: 10.14272/lhutufieqfavfb-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (8-chloro-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H7ClF4N2/c15-11-5-9(14(17,18)19)6-21-7-12(20-13(11)21)8-1-3-10(16)4-2-8/h1-7H

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 60 °C), m/z (%): 314/316 (100/33) [M]+, HRMS–EI (C14H7N2ClF4) (m/z): [M]+ Calcd 314.0228; Found 314.0227.
DOI: 10.14272/lhutufieqfavfb-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (8-chloro-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H7ClF4N2/c15-11-5-9(14(17,18)19)6-21-7-12(20-13(11)21)8-1-3-10(16)4-2-8/h1-7H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/lhutufieqfavfb-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (8-chloro-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H7ClF4N2/c15-11-5-9(14(17,18)19)6-21-7-12(20-13(11)21)8-1-3-10(16)4-2-8/h1-7H

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/lhutufieqfavfb-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (8-chloro-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H7ClF4N2/c15-11-5-9(14(17,18)19)6-21-7-12(20-13(11)21)8-1-3-10(16)4-2-8/h1-7H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3126 (w), 3092 (w), 3060 (w), 1723 (w), 1642 (w), 1601 (w), 1548 (w), 1486 (s), 1456 (w), 1432 (w), 1417 (w), 1375 (m), 1349 (s), 1329 (vs), 1307 (vs), 1272 (w), 1237 (w), 1218 (vs), 1193 (s), 1170 (vs), 1156 (vs), 1125 (vs), 1101 (vs), 1074 (vs), 1013 (m), 994 (s), 946 (w), 935 (m), 891 (s), 863 (m), 850 (vs), 823 (s), 803 (vs), 742 (vs), 698 (vs), 676 (s), 666 (m), 647 (m), 632 (m), 602 (m), 568 (m), 541 (s), 527 (s), 511 (m), 467 (w), 455 (m), 424 (m), 392 (w), 380 (w) cm–1.
DOI: 10.14272/lhutufieqfavfb-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (8-chloro-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H7ClF4N2/c15-11-5-9(14(17,18)19)6-21-7-12(20-13(11)21)8-1-3-10(16)4-2-8/h1-7H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/lhutufieqfavfb-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (8-chloro-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H7ClF4N2/c15-11-5-9(14(17,18)19)6-21-7-12(20-13(11)21)8-1-3-10(16)4-2-8/h1-7H

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, ppm) δ = -62.02, -112.47.
DOI: 10.14272/lhutufieqfavfb-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) (8-chloro-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H7ClF4N2/c15-11-5-9(14(17,18)19)6-21-7-12(20-13(11)21)8-1-3-10(16)4-2-8/h1-7H

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/lhutufieqfavfb-uhfffaoysa-n.1
title: 8-chloro-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
title: InChI=1S/C14H7ClF4N2/c15-11-5-9(14(17,18)19)6-21-7-12(20-13(11)21)8-1-3-10(16)4-2-8/h1-7H

description: This dataset contains experimental data from a sample (8-chloro-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine, InChI=1S/C14H7ClF4N2/c15-11-5-9(14(17,18)19)6-21-7-12(20-13(11)21)8-1-3-10(16)4-2-8/h1-7H). 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) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) heteronuclear single quantum coherence (HSQC) heteronuclear multiple bond coherence (HMBC) mass spectrometry (MS) infrared absorption spectroscopy (IR) correlation spectroscopy (COSY)
DOI: 10.14272/lhutufieqfavfb-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (8-chloro-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H7ClF4N2/c15-11-5-9(14(17,18)19)6-21-7-12(20-13(11)21)8-1-3-10(16)4-2-8/h1-7H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.43 (pseudo-t, J = 1.2 Hz, 1H), 7.99–7.94 (m, 2H), 7.94 (s, 1H), 7.42 (d, J = 1.6 Hz, 1H), 7.17–7.13 (m, 2H).
DOI: 10.14272/lhutufieqfavfb-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (8-chloro-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H7ClF4N2/c15-11-5-9(14(17,18)19)6-21-7-12(20-13(11)21)8-1-3-10(16)4-2-8/h1-7H

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/lhutufieqfavfb-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (8-chloro-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C14H7ClF4N2/c15-11-5-9(14(17,18)19)6-21-7-12(20-13(11)21)8-1-3-10(16)4-2-8/h1-7H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 163.2 (d, J = 248.1 Hz, Cq), 147.4 (Cq), 142.8 (Cq), 128.6 (d, J = 3.1 Hz, Cq), 128.3 (d, J = 8.5 Hz, 2C, CH), 124.3 (Cq), 123.1 (q, J = 5.4 Hz, CH), 122.9 (q, J = 271.3 Hz, CF3), 119.6 (q, J = 3.1 Hz, CH), 116.8 (q, J = 35.1 Hz, Cq), 115.8 (d, J = 22.3 Hz, 2C, CH), 110.4 (CH).
DOI: 10.6084/m9.figshare.21835908
title: Data for "Analog ensemble data assimilation in a quasigeostrophic coupled model"

description: Data for the paper "Analog ensemble data assimilation in a quasigeostrophic coupled model." Includes figure data, trained autoencoder weights, and initial conditions for Q-GCM.
DOI: 10.6084/m9.figshare.21835908.v1
title: Data for "Analog ensemble data assimilation in a quasigeostrophic coupled model"

description: Data for the paper "Analog ensemble data assimilation in a quasigeostrophic coupled model." Includes figure data, trained autoencoder weights, and initial conditions for Q-GCM.
DOI: 10.14272/gyozqhdhgjdziq-uhfffaoysa-n.1
title: 6-methyl-2-phenyl-imidazo[1,2-a]pyridine
title: InChI=1S/C14H12N2/c1-11-7-8-14-15-13(10-16(14)9-11)12-5-3-2-4-6-12/h2-10H,1H3

description: This dataset contains experimental data from a sample (6-methyl-2-phenylimidazo[1,2-a]pyridine, InChI=1S/C14H12N2/c1-11-7-8-14-15-13(10-16(14)9-11)12-5-3-2-4-6-12/h2-10H,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) heteronuclear single quantum coherence (HSQC) heteronuclear multiple bond coherence (HMBC) correlation spectroscopy (COSY) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/gyozqhdhgjdziq-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (6-methyl-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H12N2/c1-11-7-8-14-15-13(10-16(14)9-11)12-5-3-2-4-6-12/h2-10H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/gyozqhdhgjdziq-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (6-methyl-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H12N2/c1-11-7-8-14-15-13(10-16(14)9-11)12-5-3-2-4-6-12/h2-10H,1H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 60 °C), m/z (%): 208 (100) [M]+, 77 (11), 69 (12), 58 (39).HRMS–EI (C14H12N2) (m/z): [M]+ Calcd 208.0995; Found 208.0997.
DOI: 10.14272/gyozqhdhgjdziq-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) (6-methyl-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H12N2/c1-11-7-8-14-15-13(10-16(14)9-11)12-5-3-2-4-6-12/h2-10H,1H3

description: dataset for heteronuclear multiple bond coherence (HMBC)