cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/txqzsmlfwohbgx-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C18H16N6/c1-23(2)14-9-7-13(8-10-14)17-12-24(22-21-17)18-11-19-15-5-3-4-6-16(15)20-18/h3-12H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2885 (w), 2809 (w), 1612 (s), 1571 (s), 1557 (w), 1500 (vs), 1479 (vs), 1448 (vs), 1429 (s), 1356 (vs), 1281 (m), 1213 (vs), 1193 (vs), 1166 (s), 1143 (s), 1128 (s), 1089 (m), 1061 (m), 1037 (m), 1010 (vs), 999 (vs), 963 (s), 948 (vs), 915 (s), 822 (vs), 799 (vs), 788 (vs), 758 (vs), 671 (s), 601 (vs), 582 (m), 541 (s), 528 (s), 516 (s), 487 (s), 416 (vs) cm–1.
DOI: 10.14272/txqzsmlfwohbgx-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C18H16N6/c1-23(2)14-9-7-13(8-10-14)17-12-24(22-21-17)18-11-19-15-5-3-4-6-16(15)20-18/h3-12H,1-2H3

description: dataset for mass spectrometry (MS) HRMS (C18H16N6): Calcd 316.1431, Found 316.1429.MS (EI, m/z, 70 eV, 150 °C): 316 [M]+ (24), 289 (22), 288 (100), 287 (23), 159 (18), 144 (18), 143 (30), 102 (13).
DOI: 10.14272/txqzsmlfwohbgx-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H16N6/c1-23(2)14-9-7-13(8-10-14)17-12-24(22-21-17)18-11-19-15-5-3-4-6-16(15)20-18/h3-12H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 9.87 (s, 1H, CH), 8.79 (s, 1H, CH), 8.22–8.19 (m, 1H, CHAr), 8.09 (dd, J = 1.3 Hz, J = 8.1 Hz, 1H, CHAr), 7.87–7.79 (m, 4H, CHAr), 6.81 (d, J = 8.8 Hz, 2H, CHAr), 3.03 (s, 6H, CH3).Spectrum contains water at 1.66 ppm and an unknown impurity at 3.06 ppm.
DOI: 10.14272/fezuxvaxrrezep-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C18H13N5O2/c1-25-18(24)13-8-6-12(7-9-13)16-11-23(22-21-16)17-10-19-14-4-2-3-5-15(14)20-17/h2-11H,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3138 (w), 2949 (w), 1717 (vs), 1612 (w), 1561 (w), 1502 (m), 1475 (w), 1451 (m), 1438 (m), 1414 (m), 1276 (vs), 1239 (s), 1215 (s), 1198 (m), 1188 (m), 1145 (m), 1111 (s), 1041 (m), 1006 (vs), 966 (m), 950 (s), 932 (m), 860 (s), 822 (s), 768 (vs), 713 (s), 696 (s), 679 (m), 649 (w), 630 (w), 595 (m), 535 (m), 510 (m), 499 (m), 470 (w), 415 (s) cm–1.
DOI: 10.14272/fezuxvaxrrezep-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H13N5O2/c1-25-18(24)13-8-6-12(7-9-13)16-11-23(22-21-16)17-10-19-14-4-2-3-5-15(14)20-17/h2-11H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 166.6 (1C, COOCH3), 147.4 (1C, Cq), 144.6 (1C, Cq), 142.4 (1C, Cq), 140.0 (1C, Cq), 137.6 (1C, CH), 139.0 (1C, Cq), 131.6 (1C, CHAr), 130.4 (1C, Cq), 130.3 (2C, CHAr), 130.3 (1C, CHAr), 129.6 (1C, CHAr), 128.7 (1C, CHAr), 125.9 (2C, CHAr), 117.7 (1C, CH), 52.2 (1C, CH3).
DOI: 10.14272/fezuxvaxrrezep-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C18H13N5O2/c1-25-18(24)13-8-6-12(7-9-13)16-11-23(22-21-16)17-10-19-14-4-2-3-5-15(14)20-17/h2-11H,1H3

description: dataset for mass spectrometry (MS) MS (EI, m/z, 70 eV, 150 °C): 331 [M]+ (4), 318 (39), 306 (22), 304 (26), 303 (100), 302 (13), 287 (22), 272 (16), 244 (19), 243 (10), 145 (20), 130 (10), 129 (90), 102 (41). HRMS (C18H13O2N5): Calcd 331.1064, Found 331.1063.
DOI: 10.14272/fezuxvaxrrezep-uhfffaoysa-n.2
title: methyl 4-(1-(quinoxalin-2-yl)-1H-1,2,3-triazol-4-yl)benzoate
title: InChI=1S/C18H13N5O2/c1-25-18(24)13-8-6-12(7-9-13)16-11-23(22-21-16)17-10-19-14-4-2-3-5-15(14)20-17/h2-11H,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C18H13N5O2/c1-25-18(24)13-8-6-12(7-9-13)16-11-23(22-21-16)17-10-19-14-4-2-3-5-15(14)20-17/h2-11H,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/fezuxvaxrrezep-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H13N5O2/c1-25-18(24)13-8-6-12(7-9-13)16-11-23(22-21-16)17-10-19-14-4-2-3-5-15(14)20-17/h2-11H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 9.89 (s, 1H, CH), 9.05 (s, 1H, CH), 8.25–8.22 (m, 1H, CHAr), 8.18–8.16 (m, 2H, CHAr), 8.12–8.07 (m, 3H, CHAr), 7.87 (m, 2H, CHAr), 3.96 (s, 3H, CH3). Spectrum contains grease at 1.26 and 0.08 ppm.
DOI: 10.14272/yowaezwwqfsejd-uhfffaoysa-n.2
title: quinoxalin-2-amine
title: InChI=1S/C8H7N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,11)

description: This dataset contains experimental data from a sample (quinoxalin-2-amine, InChI=1S/C8H7N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,11)). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/yowaezwwqfsejd-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (quinoxalin-2-amine)
title: InChI=1S/C8H7N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,11)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.83 (s, 1H, NCHar), 7.92 (d, 3J = 8.2 Hz, 1H, CHar), 7.68–7.59 (m, 2H, CHar), 7.47–7.42 (m, 1H, CHar), 5.05 (bs, 2H, NH2).Signals at 9.90, 9.06, 8.80, 8.25–8.03, 7.88–7.79, 3.97, 3.90, 1.44–1.40, 1.29–1.26 and 0.66–0.65 ppm are residual impurities.
DOI: 10.14272/sjcztvuagltccv-uhfffaoysa-n/chmo0000596.3
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C17H13N5O/c1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17/h2-11H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT) Data taken from other reaction (other charge) with the same product. 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 137.8 (1C, CHAr), 131.5, (1C, CHAr), 130.2 (1C, CHAr), 129.6 (1C, CHAr), 128.7 (1C, CHAr), 127.5 (2C, CHAr), 115.8 (1C, CHAr), 114.4 (2C, CHAr), 55.4 (1C, CH3).
DOI: 10.14272/sjcztvuagltccv-uhfffaoysa-n/chmo0000596.2
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C17H13N5O/c1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17/h2-11H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT) Data taken from other reaction (other charge) with the same product. 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 137.8 (1C, CHAr), 131.5 (1C, CHAr), 130.2 (1C, CHAr), 129.6 (1C, CHAr), 128.7 (1C, CHAr), 127.5 (2C, CHAr), 115.8 (1C, CHAr), 114.4 (2C, CHAr).
DOI: 10.14272/sjcztvuagltccv-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C17H13N5O/c1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17/h2-11H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) Data taken from other reaction (other charge) with the same product. 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 160.2 (1C, Cq), 148.4 (1C, Cq), 148,2 (1C, Cq) 143,1 (1C, Cq) 142.2 (1C, Cq), 137.8 (1C, CHAr), 131.5 (1C, CHAr), 130.2 (1C, CHAr), 129.6 (1C, CHAr), 128.7 (1C, CHAr), 127.5 (2C, CHAr), 122.4 (1C, Cq), 115.8 (1C, CHAr), 114.4 (2C, CHAr), 55.4 (1C, CH3).
DOI: 10.14272/sjcztvuagltccv-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) ()
title: InChI=1S/C17H13N5O/c1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17/h2-11H,1H3

description: dataset for mass spectrometry (MS) Data taken from other reaction (other charge) with the same product. MS (EI, m/z, 70 eV, 160 °C): 303 [M]+ (11), 275 (100), 261 (12), 260 (63), 231 (20), 146 (30), 129 (18), 102 (26), 75 (26). HRMS (C17H13O1N5): Calcd 303.1116, Found 303.1115.
DOI: 10.14272/sjcztvuagltccv-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C17H13N5O/c1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17/h2-11H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 9.87 (s, 1H, CH), 8.85 (s, 1H, CH), 8.22–8.20 (m, 1H, CHAr), 8.10–8.07 (m, 1H, CHAr), 7.92 (d, J = 8.8 Hz, 2H, CHAr), 7.88–7.80 (m, 2H, CHAr), 7.02 (d, J = 8.8 Hz, 2H, CHAr), 3.88 (s, 3H, CH3).
DOI: 10.14272/sjcztvuagltccv-uhfffaoysa-n.2
title: 2-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)quinoxaline
title: InChI=1S/C17H13N5O/c1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17/h2-11H,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C17H13N5O/c1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17/h2-11H,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) infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/sjcztvuagltccv-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C17H13N5O/c1-23-13-8-6-12(7-9-13)16-11-22(21-20-16)17-10-18-14-4-2-3-5-15(14)19-17/h2-11H,1H3

description: dataset for infrared absorption spectroscopy (IR) Data taken from other reaction (other charge) with the same product. IR (ATR, ṽ) = 3163 (w), 2918 (m), 2840 (w), 1615 (m), 1567 (s), 1497 (vs), 1482 (m), 1473 (s), 1448 (vs), 1419 (m), 1356 (m), 1330 (w), 1303 (m), 1289 (w), 1248 (vs), 1232 (vs), 1213 (vs), 1180 (vs), 1142 (m), 1123 (m), 1109 (m), 1092 (w), 1028 (s), 1016 (vs), 1003 (vs), 965 (m), 949 (vs), 919 (s), 833 (vs), 795 (vs), 768 (vs), 673 (s), 642 (m), 608 (vs), 589 (m), 540 (s), 531 (m), 516 (s), 487 (m), 442 (w), 416 (vs) cm–1.
DOI: 10.14272/mxgsqrznsjhgep-uhfffaoysa-n.1
title: 2-(4-(3-methoxyphenyl)-1H-1,2,3-triazol-1-yl)quinoxaline
title: InChI=1S/C17H13N5O/c1-23-13-6-4-5-12(9-13)16-11-22(21-20-16)17-10-18-14-7-2-3-8-15(14)19-17/h2-11H,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C17H13N5O/c1-23-13-6-4-5-12(9-13)16-11-22(21-20-16)17-10-18-14-7-2-3-8-15(14)19-17/h2-11H,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) infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/mxgsqrznsjhgep-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C17H13N5O/c1-23-13-6-4-5-12(9-13)16-11-22(21-20-16)17-10-18-14-7-2-3-8-15(14)19-17/h2-11H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 137.7 (1C, CH), 131.5 (1C, CHAr), 130.2 (1C, CHAr), 130.0 (1C, CHAr), 129.6 (1C, CHAr), 128.7 (1C, CH), 118.5 (1C, CHAr), 116.9 (1C, CHAr), 114.9 (1C, CHAr), 111.1 (1C, CHAr).
DOI: 10.14272/mxgsqrznsjhgep-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C17H13N5O/c1-23-13-6-4-5-12(9-13)16-11-22(21-20-16)17-10-18-14-7-2-3-8-15(14)19-17/h2-11H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 9.89 (s, 1H, CH), 8.95 (s, 1H, CH), 8.24–8.22 (m, 1H, CHAr), 8.12–8.09 (m, 1H, CHAr), 7.90–7.82 (m, 2H, CHAr), 7.60–7.59 (m, 1H, CHAr), 7.56–7.54 (m, 1H, CHAr), 7.41 (t, J = 7.8 Hz, 1H, CHAr), 6.96 (ddd, J = 1.0 Hz, J = 2.7 Hz, J = 8.3 Hz, 1H, CHAr), 3.92 (s, 3H, CH3).
DOI: 10.14272/mxgsqrznsjhgep-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C17H13N5O/c1-23-13-6-4-5-12(9-13)16-11-22(21-20-16)17-10-18-14-7-2-3-8-15(14)19-17/h2-11H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 160.1 (1C, Cq), 148.4 (1C, Cq), 142.2 (1C, Cq), 140.0 (1C, Cq), 138.4 (1C, Cq), 137.7 (1C, CH), 131.5 (1C, CHAr), 130.9 (1C, Cq), 130.2 (1C, CHAr), 130.0 (1C, CHAr), 129.6 (1C, CHAr), 128.7 (1C, CH), 118.5 (1C, CHAr), 116.9 (1C, CHAr), 114.9 (1C, CHAr), 111.1 (1C, CHAr), 55.4 (1C, CH3).
DOI: 10.14272/mxgsqrznsjhgep-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C17H13N5O/c1-23-13-6-4-5-12(9-13)16-11-22(21-20-16)17-10-18-14-7-2-3-8-15(14)19-17/h2-11H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 137.7 (1C, CH), 131.5 (1C, CHAr), 130.2 (1C, CHAr), 130.0 (1C, CHAr), 129.6 (1C, CHAr), 128.7 (1C, CH), 118.5 (1C, CHAr), 116.9 (1C, CHAr), 114.9 (1C, CHAr), 111.1 (1C, CHAr), 55.4 (1C, CH3).
DOI: 10.14272/mxgsqrznsjhgep-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C17H13N5O/c1-23-13-6-4-5-12(9-13)16-11-22(21-20-16)17-10-18-14-7-2-3-8-15(14)19-17/h2-11H,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3150 (w), 2961 (w), 2837 (w), 1615 (w), 1581 (s), 1567 (m), 1496 (vs), 1475 (vs), 1451 (vs), 1439 (s), 1428 (s), 1364 (m), 1327 (w), 1288 (m), 1245 (vs), 1208 (vs), 1171 (vs), 1133 (s), 1082 (m), 1047 (vs), 1009 (vs), 977 (s), 950 (vs), 918 (s), 887 (s), 833 (s), 809 (m), 785 (vs), 764 (vs), 714 (m), 688 (vs), 647 (m), 626 (m), 588 (s), 569 (s), 483 (s), 460 (s), 412 (vs) cm–1.
DOI: 10.14272/mxgsqrznsjhgep-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C17H13N5O/c1-23-13-6-4-5-12(9-13)16-11-22(21-20-16)17-10-18-14-7-2-3-8-15(14)19-17/h2-11H,1H3

description: dataset for mass spectrometry (MS) MS (EI, m/z, 70 eV, 130 °C): 303 [M]+ (11), 276 (27), 275( 98), 274 (43), 245 (10), 244 (11), 232 (11), 231 (11), 147 (21), 130 (17), 129 (100), 116 (10), 103 (15), 102 (80), 89 (15), 86 (10). HRMS (C17H13O1N5): Calcd 303.1115, Found 303.1114.
DOI: 10.14272/gcjkjvpzvspcqi-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C19H12N6O2/c26-18-13-5-1-2-6-14(13)19(27)24(18)10-12-11-25(23-22-12)17-9-20-15-7-3-4-8-16(15)21-17/h1-9,11H,10H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 9.80 (s, 1H, CH), 8.78 (s, 1H, CH), 8.21–8.19 (m, 1H, CHAr), 8.07–8.04 (m, 1H, CHAr), 7.91–7.90 (m, 2H, CHAr), 7.84 (ddd, J = 1.7 Hz, J = 6.3 Hz, J = 7.5 Hz, 2H, CHAr), 7.77–7.73 (m, 2H, CHAr), 5.16 (s, 2H, CH2). Impurities: Spectrum contains residues of dichloromethane at 5.31 ppm and DMSO at 2.61 ppm.
DOI: 10.14272/gcjkjvpzvspcqi-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C19H12N6O2/c26-18-13-5-1-2-6-14(13)19(27)24(18)10-12-11-25(23-22-12)17-9-20-15-7-3-4-8-16(15)21-17/h1-9,11H,10H2

description: dataset for distortionless enhancement with polarization transfer (DEPT) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 137.6 (1C, CH), 134.2 (1C, CHAr), 131.5 (1C, CHAr), 130.3 (1C, CHAr), 129.5 (1C, CHAr), 128.7 (2C, CHAr), 123.5 (2C, CHAr), 120.5 (1C, CH), 33.0 (1C, CH2).
DOI: 10.14272/gcjkjvpzvspcqi-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C19H12N6O2/c26-18-13-5-1-2-6-14(13)19(27)24(18)10-12-11-25(23-22-12)17-9-20-15-7-3-4-8-16(15)21-17/h1-9,11H,10H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 167.6 (2C, CO), 143.8 (2C, Cq), 142.7 (1C, Cq), 142.2 (1C, Cq), 139.9 (1C, Cq), 137.6 (1C, CH), 134.2 (1C, CHAr), 132.0 (1C, Cq), 131.5 (1C, CHAr), 130.3 (1C, CHAr), 129.5 (1C, CHAr), 128.7 (2C, CHAr), 123.5 (2C, CHAr), 120.5 (1C, CH), 33.0 (1C, CH2).
DOI: 10.14272/gcjkjvpzvspcqi-uhfffaoysa-n.1
title: 2-((1-(quinoxalin-2-yl)-1H-1,2,3-triazol-4-yl)methyl)isoindoline-1,3-dione
title: InChI=1S/C19H12N6O2/c26-18-13-5-1-2-6-14(13)19(27)24(18)10-12-11-25(23-22-12)17-9-20-15-7-3-4-8-16(15)21-17/h1-9,11H,10H2

description: This dataset contains experimental data from a sample (InChI=1S/C19H12N6O2/c26-18-13-5-1-2-6-14(13)19(27)24(18)10-12-11-25(23-22-12)17-9-20-15-7-3-4-8-16(15)21-17/h1-9,11H,10H2). 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) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/gcjkjvpzvspcqi-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C19H12N6O2/c26-18-13-5-1-2-6-14(13)19(27)24(18)10-12-11-25(23-22-12)17-9-20-15-7-3-4-8-16(15)21-17/h1-9,11H,10H2

description: dataset for distortionless enhancement with polarization transfer (DEPT) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 137.6 (1C, CH), 134.2 (1C, CHAr), 131.5 (1C, CHAr), 130.3 (1C, CHAr), 129.5 (1C, CHAr), 128.7 (2C, CHAr), 123.6 (2C, CHAr), 120.5 (1C, CH).
DOI: 10.14272/gcjkjvpzvspcqi-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C19H12N6O2/c26-18-13-5-1-2-6-14(13)19(27)24(18)10-12-11-25(23-22-12)17-9-20-15-7-3-4-8-16(15)21-17/h1-9,11H,10H2

description: dataset for mass spectrometry (MS) HRMS (C19H13O2N6): Calcd 357.1095, Found 357.1095. MS (FAB, 3-NBA, m/z): 358 [M]+ (18), 357 (62), 307 (16), 289 (14), 182 (15), 160 (15), 156 (10), 155 (36), 154 (100), 153 (12), 152 (13), 139 (23), 138 (45), 137 (76), 136 (87), 129 (24), 121 (17), 120 (17), 119 (16), 109 (16), 107 (33), 105 (18), 97 (24), 95 (29), 91 (32), 90 (18), 89 (25).
DOI: 10.14272/gcjkjvpzvspcqi-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C19H12N6O2/c26-18-13-5-1-2-6-14(13)19(27)24(18)10-12-11-25(23-22-12)17-9-20-15-7-3-4-8-16(15)21-17/h1-9,11H,10H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3131 (w), 1772 (w), 1713 (vs), 1612 (w), 1561 (w), 1496 (m), 1466 (w), 1448 (w), 1415 (s), 1395 (s), 1371 (m), 1339 (s), 1305 (m), 1234 (s), 1177 (m), 1136 (w), 1126 (w), 1098 (m), 1085 (m), 1035 (s), 1016 (w), 997 (m), 949 (m), 931 (vs), 846 (w), 836 (w), 789 (w), 762 (vs), 713 (vs), 676 (s), 649 (s), 618 (m), 591 (m), 548 (w), 530 (vs), 409 (vs), 382 (m) cm–1.
DOI: 10.14272/xjhphmlscvfadt-uhfffaoysa-n.1
title: (1-(quinoxalin-2-yl)-1H-1,2,3-triazol-4-yl)methyl acrylate
title: InChI=1S/C14H11N5O2/c1-2-14(20)21-9-10-8-19(18-17-10)13-7-15-11-5-3-4-6-12(11)16-13/h2-8H,1,9H2

description: This dataset contains experimental data from a sample (InChI=1S/C14H11N5O2/c1-2-14(20)21-9-10-8-19(18-17-10)13-7-15-11-5-3-4-6-12(11)16-13/h2-8H,1,9H2). 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) infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/xjhphmlscvfadt-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C14H11N5O2/c1-2-14(20)21-9-10-8-19(18-17-10)13-7-15-11-5-3-4-6-12(11)16-13/h2-8H,1,9H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 165.9 (1C, Cq), 143.7 (1C, Cq), 142.7 (1C, Cq), 142.3 (1C, Cq), 139.9 (1C, CIV), 137.6 (1C, CH), 131.8 (1C, CH2), 131.6 (1C, CHAr), 130.4 (1C, CHAr), 129.6 (1C, CHAr), 128.8 (1C, CHAr), 127.8 (1C, CH), 121.6 (1C, CH), 57.4 (1C, CH2).
DOI: 10.14272/xjhphmlscvfadt-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C14H11N5O2/c1-2-14(20)21-9-10-8-19(18-17-10)13-7-15-11-5-3-4-6-12(11)16-13/h2-8H,1,9H2

description: dataset for distortionless enhancement with polarization transfer (DEPT) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 137.6 (1C, CH), 131.6 (1C, CHAr), 130.4 (1C, CHAr), 129.6 (1C, CHAr), 128.8 (1C, CHAr), 127.8 (1C, CH), 121.6 (1C, CH).
DOI: 10.14272/xjhphmlscvfadt-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C14H11N5O2/c1-2-14(20)21-9-10-8-19(18-17-10)13-7-15-11-5-3-4-6-12(11)16-13/h2-8H,1,9H2

description: dataset for distortionless enhancement with polarization transfer (DEPT) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 137.6 (1C, CH), 131.8 (1C, CH2), 131.6 (1C, CHAr), 130.4 (1C, CHAr), 129.6 (1C, CHAr), 128.8 (1C, CHAr), 127.8 (1C, CH), 121.6 (1C, CH), 57.4 (1C, CH2).
DOI: 10.14272/xjhphmlscvfadt-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C14H11N5O2/c1-2-14(20)21-9-10-8-19(18-17-10)13-7-15-11-5-3-4-6-12(11)16-13/h2-8H,1,9H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3162 (w), 1720 (vs), 1619 (w), 1565 (w), 1500 (s), 1476 (m), 1451 (m), 1408 (s), 1368 (w), 1351 (w), 1283 (w), 1254 (vs), 1169 (vs), 1139 (m), 1054 (s), 1031 (vs), 963 (vs), 950 (vs), 921 (s), 827 (s), 807 (vs), 761 (vs), 696 (m), 674 (m), 659 (w), 649 (m), 616 (w), 603 (m), 589 (m), 534 (w), 414 (s), 378 (m) cm–1.
DOI: 10.14272/xjhphmlscvfadt-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C14H11N5O2/c1-2-14(20)21-9-10-8-19(18-17-10)13-7-15-11-5-3-4-6-12(11)16-13/h2-8H,1,9H2

description: dataset for mass spectrometry (MS) MS (EI, m/z, 70 eV, 100 °C): 281 (10), 199 (34), 198 (72), 182 (20), 170 (28), 130 (36), 129 (100), 103 (12), 102 (46), 55 (39). HRMS (C14H11O2N5): Calcd 281.0907, Found 281.0907.
DOI: 10.14272/xjhphmlscvfadt-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C14H11N5O2/c1-2-14(20)21-9-10-8-19(18-17-10)13-7-15-11-5-3-4-6-12(11)16-13/h2-8H,1,9H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 9.83 (s, 1H, CH), 8.83 (s, 1H, CH), 8.23–8.20 (m, 1H, CHAr), 8.09–8.07 (m, 1H, CHAr), 7.89–7.82 (m, 2H, CHAr), 6.50 (dd, J = 1.3 Hz, J = 17.4 Hz, 1H, CHalkene), 6.23–6.16 (m, 1H, CHCOO), 5.90 (dd, J = 1.3 Hz, J = 10.5 Hz, 1H, CHalkene), 5.47 (s, 2H, CH2).
DOI: 10.14272/grlfmiqvculkir-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C16H12N6.ClH/c17-12-7-5-11(6-8-12)15-10-22(21-20-15)16-9-18-13-3-1-2-4-14(13)19-16;/h1-10H,17H2;1H

description: dataset for mass spectrometry (MS) HRMS (C16H12N6): Calcd 288.1118, Found 288.1119. MS (EI, m/z, 70 eV, 200 °C): 288 [M]+ (15), 260 (100), 259 (21), 132 (8), 131 (59), 129 (12), 102 (13).
DOI: 10.14272/grlfmiqvculkir-uhfffaoysa-n.1
title: 4-(1-(quinoxalin-2-yl)-1H-1,2,3-triazol-4-yl)benzenaminium chloride
title: InChI=1S/C16H12N6.ClH/c17-12-7-5-11(6-8-12)15-10-22(21-20-15)16-9-18-13-3-1-2-4-14(13)19-16;/h1-10H,17H2;1H

description: This dataset contains experimental data from a sample (InChI=1S/C16H12N6.ClH/c17-12-7-5-11(6-8-12)15-10-22(21-20-15)16-9-18-13-3-1-2-4-14(13)19-16;/h1-10H,17H2;1H). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS)