cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/qipdzoxyxlimdh-ocozrvbesa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C37H50N4O3Si/c1-37(2,3)45(4,5)44-27-19-13-11-9-7-6-8-10-12-18-26-43-36-34(39-31-22-16-17-23-32(31)41-36)25-24-33-35(28-42)40-30-21-15-14-20-29(30)38-33/h14-17,20-25,28H,6-13,18-19,26-27H2,1-5H3/b25-24+

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3054, 2924, 2851, 2738, 1714, 1623, 1605, 1568, 1551, 1523, 1487, 1463, 1414, 1383, 1356, 1329, 1303, 1286, 1254, 1237, 1203, 1142, 1098, 1004, 990, 958, 936, 897, 833, 813, 773, 752, 722, 704, 680, 660, 616, 605, 558, 543, 521, 486, 463, 436, 397, 380 cm–1.
DOI: 10.14272/qipdzoxyxlimdh-ocozrvbesa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C37H50N4O3Si/c1-37(2,3)45(4,5)44-27-19-13-11-9-7-6-8-10-12-18-26-43-36-34(39-31-22-16-17-23-32(31)41-36)25-24-33-35(28-42)40-30-21-15-14-20-29(30)38-33/h14-17,20-25,28H,6-13,18-19,26-27H2,1-5H3/b25-24+

description: dataset for mass spectrometry (MS) MS (ESI), m/z (%): 681 (26), 628 (16) [M+2H]+, 627 (41) [M+H]+, 310 (12), 297 (21), 283 (18), 282 (100), 280 (12), 256 (12), 224 (17), 223 (35), 100 (27). HRMS–ESI (m/z): [M + H]+ calcd for C37H51N4O3Si 627.3652; found 627.3715.
DOI: 10.14272/qipdzoxyxlimdh-ocozrvbesa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C37H50N4O3Si/c1-37(2,3)45(4,5)44-27-19-13-11-9-7-6-8-10-12-18-26-43-36-34(39-31-22-16-17-23-32(31)41-36)25-24-33-35(28-42)40-30-21-15-14-20-29(30)38-33/h14-17,20-25,28H,6-13,18-19,26-27H2,1-5H3/b25-24+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3 [77.0 ppm], ppm) δ = -5.1 (2C, SiCH3), 18.5 (Cq), 25.9 (CH2), 26.1 (3C, CCH3), 26.4 (CH2), 28.9 (CH2), 29.6 (CH2), 29.6 (CH2), 29.8 (2C, CH2), 29.8 (2C, CH2), 33.0 (CH2), 63.5 (OCH2), 67.3 (OCH2), 126.8 (CH), 127.0 (CH), 129.3 (CH), 129.8 (CH), 130.1 (CH), 130.3 (CH), 130.9 (CH), 131.0 (CH), 132.4 (CH), 133.3 (CH), 138.9 (Cq), 140.6 (Cq), 141.6 (Cq), 143.2 (Cq), 143.5 (Cq), 144.4 (Cq), 149.0 (Cq), 156.5 (Cq), 193.8 (CHO).
DOI: 10.14272/qipdzoxyxlimdh-ocozrvbesa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C37H50N4O3Si/c1-37(2,3)45(4,5)44-27-19-13-11-9-7-6-8-10-12-18-26-43-36-34(39-31-22-16-17-23-32(31)41-36)25-24-33-35(28-42)40-30-21-15-14-20-29(30)38-33/h14-17,20-25,28H,6-13,18-19,26-27H2,1-5H3/b25-24+

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/qipdzoxyxlimdh-ocozrvbesa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C37H50N4O3Si/c1-37(2,3)45(4,5)44-27-19-13-11-9-7-6-8-10-12-18-26-43-36-34(39-31-22-16-17-23-32(31)41-36)25-24-33-35(28-42)40-30-21-15-14-20-29(30)38-33/h14-17,20-25,28H,6-13,18-19,26-27H2,1-5H3/b25-24+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.27 ppm], ppm) δ = 0.04 (s, 6H, SiCH3), 0.88 (s, 9H, CCH3), 1.19–1.39 (m, 14H, CH2), 1.39–1.53 (m, 2H, CH2), 1.53–1.63 (m, 2H, CH2), 2.03 (p, J = 6.9 Hz, 2H, CH2), 3.58 (t, J = 6.6 Hz, 2H, OCH2), 4.62 (t, J = 6.8 Hz, 2H, OCH2), 7.54–7.60 (m, 1H, HAr), 7.61–7.69 (m, 1H, HAr), 7.77–7.89 (m, 2H, HAr), 7.89–7.97 (m, 1H, HAr), 8.09 (dd, J = 8.2 Hz, J = 1.5 Hz, 1H, HAr), 8.17–8.24 (m, 2H, HAr), 8.58 (d, J = 15.7 Hz, 1H, HAlkene), 9.23 (d, J = 15.6 Hz, 1H, HAlkene), 10.41 (s, 1H, CHO). Impurity: 3.49 ppm (methanol).
DOI: 10.14272/qipdzoxyxlimdh-ocozrvbesa-n.1
title: (E)-3-(2-(3-((12-((tert-butyldimethylsilyl)oxy)dodecyl)oxy)quinoxalin-2-yl)vinyl)quinoxaline-2-carbaldehyde
title: InChI=1S/C37H50N4O3Si/c1-37(2,3)45(4,5)44-27-19-13-11-9-7-6-8-10-12-18-26-43-36-34(39-31-22-16-17-23-32(31)41-36)25-24-33-35(28-42)40-30-21-15-14-20-29(30)38-33/h14-17,20-25,28H,6-13,18-19,26-27H2,1-5H3/b25-24+

description: This dataset contains experimental data from a sample (InChI=1S/C37H50N4O3Si/c1-37(2,3)45(4,5)44-27-19-13-11-9-7-6-8-10-12-18-26-43-36-34(39-31-22-16-17-23-32(31)41-36)25-24-33-35(28-42)40-30-21-15-14-20-29(30)38-33/h14-17,20-25,28H,6-13,18-19,26-27H2,1-5H3/b25-24+). 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/qipdzoxyxlimdh-ocozrvbesa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C37H50N4O3Si/c1-37(2,3)45(4,5)44-27-19-13-11-9-7-6-8-10-12-18-26-43-36-34(39-31-22-16-17-23-32(31)41-36)25-24-33-35(28-42)40-30-21-15-14-20-29(30)38-33/h14-17,20-25,28H,6-13,18-19,26-27H2,1-5H3/b25-24+

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/jutbiegekgnyjd-pnbbgtcesa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C47H58N6O2Si/c1-35-36(49-38-24-16-15-23-37(38)48-35)29-30-43-44(51-40-26-18-17-25-39(40)50-43)31-32-45-46(53-42-28-20-19-27-41(42)52-45)54-33-21-13-11-9-7-8-10-12-14-22-34-55-56(5,6)47(2,3)4/h15-20,23-32H,7-14,21-22,33-34H2,1-6H3/b30-29+,32-31+

description: dataset for mass spectrometry (MS) MS (ESI), m/z (%): 815 (26), 798 (30), 797 (57), 768 (53) [M+2H]+, 767 (95) [M+H]+, 766 (49) [M]+, 765 (92), 683 (31), 682 (44), 681 (100), 653 (23). HRMS–ESI (m/z): [M + H]+ calcd for C47H59N6O2Si 767.4391; found 767.4458.
DOI: 10.14272/jutbiegekgnyjd-pnbbgtcesa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C47H58N6O2Si/c1-35-36(49-38-24-16-15-23-37(38)48-35)29-30-43-44(51-40-26-18-17-25-39(40)50-43)31-32-45-46(53-42-28-20-19-27-41(42)52-45)54-33-21-13-11-9-7-8-10-12-14-22-34-55-56(5,6)47(2,3)4/h15-20,23-32H,7-14,21-22,33-34H2,1-6H3/b30-29+,32-31+

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/jutbiegekgnyjd-pnbbgtcesa-n.1
title: 2-((12-((tert-butyldimethylsilyl)oxy)dodecyl)oxy)-3-((E)-2-(3-((E)-2-(3-methylquinoxalin-2-yl)vinyl)quinoxalin-2-yl)vinyl)quinoxaline
title: InChI=1S/C47H58N6O2Si/c1-35-36(49-38-24-16-15-23-37(38)48-35)29-30-43-44(51-40-26-18-17-25-39(40)50-43)31-32-45-46(53-42-28-20-19-27-41(42)52-45)54-33-21-13-11-9-7-8-10-12-14-22-34-55-56(5,6)47(2,3)4/h15-20,23-32H,7-14,21-22,33-34H2,1-6H3/b30-29+,32-31+

description: This dataset contains experimental data from a sample (InChI=1S/C47H58N6O2Si/c1-35-36(49-38-24-16-15-23-37(38)48-35)29-30-43-44(51-40-26-18-17-25-39(40)50-43)31-32-45-46(53-42-28-20-19-27-41(42)52-45)54-33-21-13-11-9-7-8-10-12-14-22-34-55-56(5,6)47(2,3)4/h15-20,23-32H,7-14,21-22,33-34H2,1-6H3/b30-29+,32-31+). 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) ultraviolet-visible spectrophotometry (UV-VIS) ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/jutbiegekgnyjd-pnbbgtcesa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C47H58N6O2Si/c1-35-36(49-38-24-16-15-23-37(38)48-35)29-30-43-44(51-40-26-18-17-25-39(40)50-43)31-32-45-46(53-42-28-20-19-27-41(42)52-45)54-33-21-13-11-9-7-8-10-12-14-22-34-55-56(5,6)47(2,3)4/h15-20,23-32H,7-14,21-22,33-34H2,1-6H3/b30-29+,32-31+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (400 MHz, CDCl3 [77.0 ppm], ppm) δ = -5.1 (2C, SiCH3), 18.5 (Cq), 23.2 (CH3), 25.9 (CH2), 26.1 (3C, CCH3), 26.3 (CH2), 28.9 (CH2), 29.5 (CH2), 29.6 (CH2), 29.7 (2C, CH2), 29.7 (CH2), 29.8 (CH2), 33.0 (CH2), 63.5 (OCH2), 67.2 (OCH2), 126.9 (2C, CH), 128.4 (CH), 129.2 (CH), 129.4 (CH), 129.5 (CH), 129.5 (CH), 129.6 (CH), 130.1 (CH), 130.1 (CH), 130.4 (CH), 130.4 (CH), 130.7 (CH), 131.1 (CH), 131.3 (CH), 131.6 (CH), 139.1 (Cq), 140.7 (Cq), 141.7 (2C, Cq), 142.2 (Cq), 142.4 (Cq), 143.3 (Cq), 148.6 (Cq), 149.0 (Cq), 149.1 (Cq), 153.3 (Cq), 156.4 (Cq).
DOI: 10.14272/jutbiegekgnyjd-pnbbgtcesa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C47H58N6O2Si/c1-35-36(49-38-24-16-15-23-37(38)48-35)29-30-43-44(51-40-26-18-17-25-39(40)50-43)31-32-45-46(53-42-28-20-19-27-41(42)52-45)54-33-21-13-11-9-7-8-10-12-14-22-34-55-56(5,6)47(2,3)4/h15-20,23-32H,7-14,21-22,33-34H2,1-6H3/b30-29+,32-31+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.27 ppm], ppm) δ = 0.04 (s, 6H, SiCH3), 0.88 (s, 9H, CCH3), 1.15–1.38 (m, 14H, CH2), 1.42–1.59 (m, 4H, CH2), 1.97 (p, J = 6.9 Hz, 2H, CH2), 3.03 (s, 3H, CH3), 3.58 (t, J = 6.6 Hz, 2H, OCH2), 4.61 (t, J = 6.8 Hz, 2H, OCH2), 7.55–7.62 (m, 1H, HAr), 7.62–7.68 (m, 1H, HAr), 7.71–7.79 (m, 4H, HAr), 7.80–7.87 (m, 1H, HAr), 8.01–8.06 (m, 1H, HAr), 8.06–8.10 (m, 1H, HAr), 8.10–8.18 (m, 3H, HAr), 8.44 (d, J = 14.8 Hz, 1H, HAlkene), 8.51 (d, J = 15.4 Hz, 1H, HAlkene), 8.75 (d, J = 14.8 Hz, 1H, HAlkene), 8.81 (d, J = 15.4 Hz, 1H, HAlkene).
DOI: 10.14272/jutbiegekgnyjd-pnbbgtcesa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C47H58N6O2Si/c1-35-36(49-38-24-16-15-23-37(38)48-35)29-30-43-44(51-40-26-18-17-25-39(40)50-43)31-32-45-46(53-42-28-20-19-27-41(42)52-45)54-33-21-13-11-9-7-8-10-12-14-22-34-55-56(5,6)47(2,3)4/h15-20,23-32H,7-14,21-22,33-34H2,1-6H3/b30-29+,32-31+

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3058, 2924, 2851, 1626, 1608, 1571, 1551, 1521, 1483, 1463, 1435, 1417, 1371, 1360, 1324, 1299, 1285, 1251, 1232, 1221, 1194, 1147, 1136, 1128, 1096, 1033, 1006, 969, 959, 939, 918, 898, 858, 833, 815, 755, 696, 681, 662, 630, 625, 608, 550, 541, 518, 503, 473, 442, 398 cm–1.
DOI: 10.14272/jutbiegekgnyjd-pnbbgtcesa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C47H58N6O2Si/c1-35-36(49-38-24-16-15-23-37(38)48-35)29-30-43-44(51-40-26-18-17-25-39(40)50-43)31-32-45-46(53-42-28-20-19-27-41(42)52-45)54-33-21-13-11-9-7-8-10-12-14-22-34-55-56(5,6)47(2,3)4/h15-20,23-32H,7-14,21-22,33-34H2,1-6H3/b30-29+,32-31+

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/piggjtqwhrlbjo-uhfffaoysa-n.1
title: 3-(octyloxy)quinoxaline-2-carbaldehyde
title: InChI=1S/C17H22N2O2/c1-2-3-4-5-6-9-12-21-17-16(13-20)18-14-10-7-8-11-15(14)19-17/h7-8,10-11,13H,2-6,9,12H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C17H22N2O2/c1-2-3-4-5-6-9-12-21-17-16(13-20)18-14-10-7-8-11-15(14)19-17/h7-8,10-11,13H,2-6,9,12H2,1H3). 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) mass spectrometry (MS) infrared absorption spectroscopy (IR) ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/piggjtqwhrlbjo-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C17H22N2O2/c1-2-3-4-5-6-9-12-21-17-16(13-20)18-14-10-7-8-11-15(14)19-17/h7-8,10-11,13H,2-6,9,12H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3 [77.0 ppm], ppm) δ = 14.2 (CH3), 22.8 (CH2), 26.2 (CH2), 28.8 (CH2), 29.3 (CH2), 29.4 (CH2), 31.9 (CH2), 67.4 (CH2), 127.2 (CH), 127.7 (CH), 130.6 (CH), 133.2 (CH), 138.7 (Cq), 138.8 (Cq), 142.5 (Cq), 157.3 (Cq), 189.7 (CHO).
DOI: 10.14272/piggjtqwhrlbjo-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C17H22N2O2/c1-2-3-4-5-6-9-12-21-17-16(13-20)18-14-10-7-8-11-15(14)19-17/h7-8,10-11,13H,2-6,9,12H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/piggjtqwhrlbjo-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C17H22N2O2/c1-2-3-4-5-6-9-12-21-17-16(13-20)18-14-10-7-8-11-15(14)19-17/h7-8,10-11,13H,2-6,9,12H2,1H3

description: dataset for mass spectrometry (MS) MS (ESI), m/z (%): 288 (18) [M+2H]+, 287 (100) [M+H]+. HRMS–ESI (m/z): [M + H]+ calcd for C17H23N2O2 287.1681; found 287.1751.
DOI: 10.14272/piggjtqwhrlbjo-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C17H22N2O2/c1-2-3-4-5-6-9-12-21-17-16(13-20)18-14-10-7-8-11-15(14)19-17/h7-8,10-11,13H,2-6,9,12H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/piggjtqwhrlbjo-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C17H22N2O2/c1-2-3-4-5-6-9-12-21-17-16(13-20)18-14-10-7-8-11-15(14)19-17/h7-8,10-11,13H,2-6,9,12H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2959, 2915, 2897, 2867, 2849, 2812, 2768, 2730, 2701, 1721, 1684, 1609, 1557, 1493, 1466, 1414, 1377, 1343, 1323, 1298, 1258, 1224, 1190, 1156, 1139, 1120, 1078, 1060, 1038, 1021, 979, 943, 929, 904, 891, 875, 853, 793, 764, 737, 720, 637, 620, 605, 557, 543, 521, 496, 472, 442, 392, 385 cm–1.
DOI: 10.14272/piggjtqwhrlbjo-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C17H22N2O2/c1-2-3-4-5-6-9-12-21-17-16(13-20)18-14-10-7-8-11-15(14)19-17/h7-8,10-11,13H,2-6,9,12H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.27 ppm], ppm) δ = 0.83–0.93 (m, 3H, CH2CH3), 1.21–1.45 (m, 8H, CH2), 1.46–1.58 (m, 2H, CH2), 1.85–1.96 (m, 2H, CH2), 4.59 (t, J = 6.7 Hz, 2H, OCH2), 7.54–7.69 (m, 1H, HAr), 7.72–7.83 (m, 1H, HAr), 7.83–7.88 (m, 1H, HAr), 8.08–8.22 (m, 1H, HAr), 10.44 (s, 1H, CHO).
DOI: 10.14272/fhukkbcwnjyuka-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C26H22N2O4/c1-15-16(2)28-24-14-22(18-7-11-20(12-8-18)26(30)32-4)21(13-23(24)27-15)17-5-9-19(10-6-17)25(29)31-3/h5-14H,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.27 ppm], ppm) δ = 2.76 (s, 6H, NCCH3), 3.90 (s, 6H, COOCH3), 7.22–7.30 (m, 4H, HPhenyl), 7.87–7.95 (m, 4H, HPhenyl), 8.05 (s, 2H, HQuinoxaline).Impurities : 1.25 and 0.86 ppm (n-hexane).
DOI: 10.14272/fhukkbcwnjyuka-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C26H22N2O4/c1-15-16(2)28-24-14-22(18-7-11-20(12-8-18)26(30)32-4)21(13-23(24)27-15)17-5-9-19(10-6-17)25(29)31-3/h5-14H,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3 [77.0 ppm], ppm) δ = 23.4 (2C, NCCH3), 52.3 (2C, COOCH3), 129.1 (2C, Cq), 129.6 (4C, CH), 130.0 (4C, CH), 130.0 (2C, CH), 140.6 (2C, Cq), 140.9 (2C, Cq), 144.9 (2C, Cq), 154.7 (2C, Cq), 166.9 (2C, Cq). Impurities : 14.2, 22.7 and 31.7 ppm (n-hexane).
DOI: 10.14272/fhukkbcwnjyuka-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C26H22N2O4/c1-15-16(2)28-24-14-22(18-7-11-20(12-8-18)26(30)32-4)21(13-23(24)27-15)17-5-9-19(10-6-17)25(29)31-3/h5-14H,1-4H3

description: dataset for mass spectrometry (MS) MS (ESI), m/z (%): 495 (13), 428 (28) [M+2H]+, 427 (100) [M+H]+, 316 (15), 288 (36). HRMS–ESI (m/z): [M + H]+ calcd for 427.1579; found 427.1647.
DOI: 10.14272/fhukkbcwnjyuka-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C26H22N2O4/c1-15-16(2)28-24-14-22(18-7-11-20(12-8-18)26(30)32-4)21(13-23(24)27-15)17-5-9-19(10-6-17)25(29)31-3/h5-14H,1-4H3

description: dataset for distortionless enhancement with polarization transfer (DEPT) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 129.9, 129.9, 129.5.
DOI: 10.14272/fhukkbcwnjyuka-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C26H22N2O4/c1-15-16(2)28-24-14-22(18-7-11-20(12-8-18)26(30)32-4)21(13-23(24)27-15)17-5-9-19(10-6-17)25(29)31-3/h5-14H,1-4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2993, 2955, 1715, 1606, 1568, 1473, 1435, 1394, 1367, 1320, 1309, 1276, 1227, 1188, 1174, 1170, 1160, 1099, 1014, 997, 965, 956, 897, 857, 826, 781, 764, 739, 725, 713, 698, 687, 632, 625, 595, 574, 548, 527, 487, 465, 425, 408 cm–1.
DOI: 10.14272/fhukkbcwnjyuka-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C26H22N2O4/c1-15-16(2)28-24-14-22(18-7-11-20(12-8-18)26(30)32-4)21(13-23(24)27-15)17-5-9-19(10-6-17)25(29)31-3/h5-14H,1-4H3

description: dataset for distortionless enhancement with polarization transfer (DEPT) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 129.9, 129.9, 129.5, 52.2, 23.3.
DOI: 10.14272/fhukkbcwnjyuka-uhfffaoysa-n.1
title: dimethyl 4,4'-(2,3-dimethylquinoxaline-6,7-diyl)dibenzoate
title: InChI=1S/C26H22N2O4/c1-15-16(2)28-24-14-22(18-7-11-20(12-8-18)26(30)32-4)21(13-23(24)27-15)17-5-9-19(10-6-17)25(29)31-3/h5-14H,1-4H3

description: This dataset contains experimental data from a sample (InChI=1S/C26H22N2O4/c1-15-16(2)28-24-14-22(18-7-11-20(12-8-18)26(30)32-4)21(13-23(24)27-15)17-5-9-19(10-6-17)25(29)31-3/h5-14H,1-4H3). 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/urbkdtwjyjxmoz-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide)
title: InChI=1S/C20H20N2O4S2/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18/h3-14,21-22H,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/urbkdtwjyjxmoz-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide)
title: InChI=1S/C20H20N2O4S2/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18/h3-14,21-22H,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/urbkdtwjyjxmoz-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide)
title: InChI=1S/C20H20N2O4S2/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18/h3-14,21-22H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, DMSO-d6, ppm) δ = 21.0 (2C, CH3), 123.4 (2C, CH), 125.8 (2C, CH), 126.9 (4C, CH), 129.7 (2C, CH), 129.7 (4C, CH), 136.1 (2C, Cq), 143.6 (2C, Cq).
DOI: 10.14272/urbkdtwjyjxmoz-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide)
title: InChI=1S/C20H20N2O4S2/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18/h3-14,21-22H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3316, 3218, 1595, 1496, 1473, 1446, 1411, 1394, 1323, 1302, 1292, 1278, 1249, 1200, 1184, 1145, 1119, 1105, 1086, 1037, 1016, 990, 950, 935, 914, 867, 834, 809, 761, 718, 703, 660, 642, 630, 605 cm–1.
DOI: 10.14272/urbkdtwjyjxmoz-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide)
title: InChI=1S/C20H20N2O4S2/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18/h3-14,21-22H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6 ppm) δ = 2.34 (s, 6H, CH3), 6.83–7.11 (m, 4H, HAr), 7.34 (d, J = 8.1 Hz, 4H, HAr), 7.59 (d, J = 8.3 Hz, 4H, HAr), 9.27 (s, 2H, NH). Impurities: 2.50 ppm, 3.30 ppm (water).
DOI: 10.14272/urbkdtwjyjxmoz-uhfffaoysa-n.1
title: 4-methyl-N-[2-(tosylamino)phenyl]benzenesulfonamide
title: InChI=1S/C20H20N2O4S2/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18/h3-14,21-22H,1-2H3

description: This dataset contains experimental data from a sample (4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide, InChI=1S/C20H20N2O4S2/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18/h3-14,21-22H,1-2H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/urbkdtwjyjxmoz-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide)
title: InChI=1S/C20H20N2O4S2/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18/h3-14,21-22H,1-2H3

description: dataset for mass spectrometry (MS) MS (FAB m/z, Matrix: 3-NBA): 419 (11) [M+3H]+, 418 (25) [M+2H]+, 417 (95) [M+H]+, 416 (43) [M]+, 307 (28), 289 (15), 263 (12), 262 (35), 261 (57), 227 (18), 195 (20), 155 (38), 154 (100), 152 (10), 139 (22), 138 (36), 137 (66), 136 (76), 124 (10), 120 (12), 108 (16), 107 (74), 91 (24), 90 (12), 89 (21). HRMS–FAB (m/z): [M + H]+ calcd for C20H21O4N232S2, 417.0943; found, 417.0940.
DOI: 10.14272/beguwtivanwacp-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (4,5-diphenylbenzene-1,2-diamine)
title: InChI=1S/C18H16N2/c19-17-11-15(13-7-3-1-4-8-13)16(12-18(17)20)14-9-5-2-6-10-14/h1-12H,19-20H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/beguwtivanwacp-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (4,5-diphenylbenzene-1,2-diamine)
title: InChI=1S/C18H16N2/c19-17-11-15(13-7-3-1-4-8-13)16(12-18(17)20)14-9-5-2-6-10-14/h1-12H,19-20H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/beguwtivanwacp-uhfffaoysa-n.1
title: 4,5-diphenylbenzene-1,2-diamine
title: InChI=1S/C18H16N2/c19-17-11-15(13-7-3-1-4-8-13)16(12-18(17)20)14-9-5-2-6-10-14/h1-12H,19-20H2

description: This dataset contains experimental data from a sample (4,5-diphenylbenzene-1,2-diamine, InChI=1S/C18H16N2/c19-17-11-15(13-7-3-1-4-8-13)16(12-18(17)20)14-9-5-2-6-10-14/h1-12H,19-20H2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/beguwtivanwacp-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4,5-diphenylbenzene-1,2-diamine)
title: InChI=1S/C18H16N2/c19-17-11-15(13-7-3-1-4-8-13)16(12-18(17)20)14-9-5-2-6-10-14/h1-12H,19-20H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 118.9 (2C, CH), 125.8 (2C, CH), 127.7 (4C, CH), 129.9 (4C, CH), 132.7 (2C, Cq), 134.1 (2C, Cq), 141.7 (2C, Cq).