cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/hwmptxvsjypnex-wcwdxbqesa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C43H42N4O5/c1-5-6-7-8-9-12-25-52-41-38(46-36-13-10-11-14-37(36)47-41)24-23-35-28(2)44-39-26-33(29-15-19-31(20-16-29)42(48)50-3)34(27-40(39)45-35)30-17-21-32(22-18-30)43(49)51-4/h10-11,13-24,26-27H,5-9,12,25H2,1-4H3/b24-23+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 0.80–0.86 (m, 3H, CH2CH3), 1.22–1.38 (m, 6H, CH2), 1.38–1.48 (m, 2H, CH2), 1.50–1.60 (m, 2H, CH2), 1.91–2.02 (m, 2H, CH2), 3.01 (s, 3H, CH3), 3.91 (s, 3H, CH3), 3.92 (s, 3H, CH3), 4.59 (t, J = 6.7 Hz, 2H, OCH2), 7.27–7.34 (m, 4H, HPhenyl), 7.53–7.62 (m, 1H, HQuinoxaline), 7.62–7.67 (m, 1H, HQuinoxaline), 7.82 (dd, J = 8.3 Hz, J = 1.5 Hz, 1H, HQuinoxaline), 7.91–7.97 (m, 4H, HPhenyl), 8.05 (dd, J = 8.3 Hz, J = 1.5 Hz, 1H, HQuinoxaline), 8.08 (s, 1H, HQuinoxaline), 8.19 (s, 1H, HQuinoxaline), 8.43 (d, J = 15.4 Hz, 1H, HAlkene), 8.50 (d, J = 15.4 Hz, 1H, HAlkene). Impurities: 2.16, 3.06, 3.90, 6.96 and 7.20 ppm.
DOI: 10.14272/qaapstfxuntxib-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C27H44N2O3Si/c1-27(2,3)33(4,5)32-21-17-13-11-9-7-6-8-10-12-16-20-31-26-25(22-30)28-23-18-14-15-19-24(23)29-26/h14-15,18-19,22H,6-13,16-17,20-21H2,1-5H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/qaapstfxuntxib-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C27H44N2O3Si/c1-27(2,3)33(4,5)32-21-17-13-11-9-7-6-8-10-12-16-20-31-26-25(22-30)28-23-18-14-15-19-24(23)29-26/h14-15,18-19,22H,6-13,16-17,20-21H2,1-5H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/qaapstfxuntxib-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C27H44N2O3Si/c1-27(2,3)33(4,5)32-21-17-13-11-9-7-6-8-10-12-16-20-31-26-25(22-30)28-23-18-14-15-19-24(23)29-26/h14-15,18-19,22H,6-13,16-17,20-21H2,1-5H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = -5.1 (2C, SiCH3), 18.5 (Cq), 26.0 (CH2), 26.1 (3C, CCH3), 26.2 (CH2), 28.8 (CH2), 29.5 (CH2), 29.6 (CH2), 29.7–29.8 (m, 3C, CH2), 29.8 (CH2), 33.0 (CH2), 63.5 (OCH2), 67.5 (OCH2), 127.2 (CH), 127.7 (CH), 130.6 (CH), 133.2 (CH), 138.7 (Cq), 138.9 (Cq), 142.5 (Cq), 157.4 (Cq), 189.7 (CHO).
DOI: 10.14272/qaapstfxuntxib-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C27H44N2O3Si/c1-27(2,3)33(4,5)32-21-17-13-11-9-7-6-8-10-12-16-20-31-26-25(22-30)28-23-18-14-15-19-24(23)29-26/h14-15,18-19,22H,6-13,16-17,20-21H2,1-5H3

description: dataset for mass spectrometry (MS) MS (ESI), m/z (%): 474 (24) [M+2H]+, 473 (100) [M+H]+, 341 (46), 282 (22), 224 (33), 157 (18), 100 (15). HRMS–ESI (m/z): [M + H]+ calcd for C27H45N2O3Si 473.3121; found 473.3189.
DOI: 10.14272/qaapstfxuntxib-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C27H44N2O3Si/c1-27(2,3)33(4,5)32-21-17-13-11-9-7-6-8-10-12-16-20-31-26-25(22-30)28-23-18-14-15-19-24(23)29-26/h14-15,18-19,22H,6-13,16-17,20-21H2,1-5H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 0.04 (s, 6H, SiCH3), 0.89 (s, 9H, SiCCH3), 1.20–1.45 (m, 14H, CH2), 1.45–1.60 (m, 4H, CH2), 1.86–1.97 (m, 2H, CH2), 3.59 (t, J = 6.6 Hz, 2H, OCH2), 4.60 (t, J = 6.7 Hz, 2H, OCH2), 7.57–7.70 (m, 1H, HAr), 7.75–7.84 (m, 1H, HAr), 7.84–7.89 (m, 1H, HAr), 8.13–8.20 (m, 1H, HAr), 10.45 (s, 1H, CHO). Impurities: 3.49, 3.65 and 5.30 (methlyene chloride) ppm.
DOI: 10.14272/qaapstfxuntxib-uhfffaoysa-n.1
title: 3-((12-((tert-butyldimethylsilyl)oxy)dodecyl)oxy)quinoxaline-2-carbaldehyde
title: InChI=1S/C27H44N2O3Si/c1-27(2,3)33(4,5)32-21-17-13-11-9-7-6-8-10-12-16-20-31-26-25(22-30)28-23-18-14-15-19-24(23)29-26/h14-15,18-19,22H,6-13,16-17,20-21H2,1-5H3

description: This dataset contains experimental data from a sample (InChI=1S/C27H44N2O3Si/c1-27(2,3)33(4,5)32-21-17-13-11-9-7-6-8-10-12-16-20-31-26-25(22-30)28-23-18-14-15-19-24(23)29-26/h14-15,18-19,22H,6-13,16-17,20-21H2,1-5H3). 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/qaapstfxuntxib-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C27H44N2O3Si/c1-27(2,3)33(4,5)32-21-17-13-11-9-7-6-8-10-12-16-20-31-26-25(22-30)28-23-18-14-15-19-24(23)29-26/h14-15,18-19,22H,6-13,16-17,20-21H2,1-5H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2925, 2853, 1721, 1686, 1612, 1585, 1560, 1493, 1465, 1414, 1385, 1360, 1326, 1252, 1222, 1190, 1166, 1152, 1139, 1096, 1004, 938, 834, 813, 772, 761, 722, 679, 662, 620, 605, 555, 507, 497, 442, 398, 385 cm–1.
DOI: 10.14272/agoikvnhwrzzme-qurgraslsa-n.1
title: (E)-6,7-bis(4-fluorophenyl)-2-methyl-3-(2-(3-(octyloxy)quinoxalin-2-yl)vinyl)quinoxaline
title: InChI=1S/C39H36F2N4O/c1-3-4-5-6-7-10-23-46-39-36(44-34-11-8-9-12-35(34)45-39)22-21-33-26(2)42-37-24-31(27-13-17-29(40)18-14-27)32(25-38(37)43-33)28-15-19-30(41)20-16-28/h8-9,11-22,24-25H,3-7,10,23H2,1-2H3/b22-21+

description: This dataset contains experimental data from a sample (InChI=1S/C39H36F2N4O/c1-3-4-5-6-7-10-23-46-39-36(44-34-11-8-9-12-35(34)45-39)22-21-33-26(2)42-37-24-31(27-13-17-29(40)18-14-27)32(25-38(37)43-33)28-15-19-30(41)20-16-28/h8-9,11-22,24-25H,3-7,10,23H2,1-2H3/b22-21+). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 19F nuclear magnetic resonance spectroscopy (19F 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/agoikvnhwrzzme-qurgraslsa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C39H36F2N4O/c1-3-4-5-6-7-10-23-46-39-36(44-34-11-8-9-12-35(34)45-39)22-21-33-26(2)42-37-24-31(27-13-17-29(40)18-14-27)32(25-38(37)43-33)28-15-19-30(41)20-16-28/h8-9,11-22,24-25H,3-7,10,23H2,1-2H3/b22-21+

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/agoikvnhwrzzme-qurgraslsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C39H36F2N4O/c1-3-4-5-6-7-10-23-46-39-36(44-34-11-8-9-12-35(34)45-39)22-21-33-26(2)42-37-24-31(27-13-17-29(40)18-14-27)32(25-38(37)43-33)28-15-19-30(41)20-16-28/h8-9,11-22,24-25H,3-7,10,23H2,1-2H3/b22-21+

description: dataset for mass spectrometry (MS) MS (ESI), m/z (%): 899 (17), 883 (21), 616 (42) [M+2H]+, 615 (100) [M+H]+, 564 (27). HRMS–ESI (m/z): [M + H]+ calcd for C39H36F2N4O 615.2857; found 615.2916.
DOI: 10.14272/agoikvnhwrzzme-qurgraslsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C39H36F2N4O/c1-3-4-5-6-7-10-23-46-39-36(44-34-11-8-9-12-35(34)45-39)22-21-33-26(2)42-37-24-31(27-13-17-29(40)18-14-27)32(25-38(37)43-33)28-15-19-30(41)20-16-28/h8-9,11-22,24-25H,3-7,10,23H2,1-2H3/b22-21+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 14.2 (CH3), 22.8 (CH2), 23.2 (CH3), 26.4 (CH2), 29.0 (CH2), 29.4 (CH2), 29.5 (CH2), 32.0 (CH2), 67.2 (OCH2), 115.3 (d, 2JC, 19F = 21.3 Hz, 2C, CH), 115.3 (d, 2JC, 19F = 21.4 Hz, 2C, CH), 126.9 (CH), 127.0 (CH), 129.1 (CH), 129.5 (CH), 130.2 (CH), 130.6 (CH), 130.7 (2C, CH), 131.6 (d, 3JC, 19F = 8.1 Hz, 2C, CH), 131.6 (d, 3JC, 19F = 8.1 Hz, 2C, CH), 136.3 (d, 4JC, 19F = 3.5 Hz, Cq), 136.4 (d, 4JC, 19F = 3.5 Hz, Cq), 139.1 (Cq), 140.7 (Cq), 140.8 (Cq), 141.0 (Cq), 141.7 (Cq), 142.1 (Cq), 143.1 (Cq), 149.9 (Cq), 153.9 (Cq), 156.3 (Cq), 162.3 (d, 1JC, 19F = 247.3 Hz, Cq), 162.4 (d, 1JC, 19F = 247.4 Hz, Cq).
DOI: 10.14272/agoikvnhwrzzme-qurgraslsa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C39H36F2N4O/c1-3-4-5-6-7-10-23-46-39-36(44-34-11-8-9-12-35(34)45-39)22-21-33-26(2)42-37-24-31(27-13-17-29(40)18-14-27)32(25-38(37)43-33)28-15-19-30(41)20-16-28/h8-9,11-22,24-25H,3-7,10,23H2,1-2H3/b22-21+

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/agoikvnhwrzzme-qurgraslsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C39H36F2N4O/c1-3-4-5-6-7-10-23-46-39-36(44-34-11-8-9-12-35(34)45-39)22-21-33-26(2)42-37-24-31(27-13-17-29(40)18-14-27)32(25-38(37)43-33)28-15-19-30(41)20-16-28/h8-9,11-22,24-25H,3-7,10,23H2,1-2H3/b22-21+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 0.78–0.91 (m, 3H, CH2CH3), 1.18–1.50 (m, 8H, CH2), 1.51–1.63 (m, 2H, CH2), 1.90–2.02 (m, 2H, CH2), 3.01 (s, 3H, CH3), 4.59 (t, J = 6.7 Hz, 2H, OCH2), 6.92–7.04 (m, 4H, HPhenyl), 7.14–7.24 (m, 4H, HPhenyl), 7.53–7.61 (m, 1H, HQuinoxaline), 7.61–7.68 (m, 1H, HQuinoxaline), 7.78–7.85 (m, 1H, HQuinoxaline), 8.02 (s, 1H, HQuinoxaline), 8.03–8.06 (m, 1H, HQuinoxaline), 8.12 (s, 1H, HQuinoxaline), 8.43 (d, J = 15.4 Hz, 1H, HAlkene), 8.49 (d, J = 15.4 Hz, 1H, HAlkene).
DOI: 10.14272/agoikvnhwrzzme-qurgraslsa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C39H36F2N4O/c1-3-4-5-6-7-10-23-46-39-36(44-34-11-8-9-12-35(34)45-39)22-21-33-26(2)42-37-24-31(27-13-17-29(40)18-14-27)32(25-38(37)43-33)28-15-19-30(41)20-16-28/h8-9,11-22,24-25H,3-7,10,23H2,1-2H3/b22-21+

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3, ppm) δ = -114.89 (s, CF), -114.74 (s, CF).
DOI: 10.14272/agoikvnhwrzzme-qurgraslsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C39H36F2N4O/c1-3-4-5-6-7-10-23-46-39-36(44-34-11-8-9-12-35(34)45-39)22-21-33-26(2)42-37-24-31(27-13-17-29(40)18-14-27)32(25-38(37)43-33)28-15-19-30(41)20-16-28/h8-9,11-22,24-25H,3-7,10,23H2,1-2H3/b22-21+

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3051, 2956, 2924, 2853, 1601, 1571, 1555, 1510, 1492, 1465, 1415, 1391, 1375, 1363, 1337, 1309, 1292, 1282, 1272, 1220, 1166, 1153, 1136, 1116, 1103, 1095, 1078, 1060, 1040, 1014, 973, 955, 890, 878, 837, 816, 789, 765, 742, 722, 705, 691, 676, 663, 645, 635, 615, 603, 574, 561, 545, 530, 496, 482, 446, 415, 399, 380 cm–1.
DOI: 10.14272/kybsmjxyygcinl-wcwdxbqesa-n.1
title: (E)-2-methyl-3-(2-(3-(octyloxy)quinoxalin-2-yl)vinyl)-6,7-diphenylquinoxaline
title: InChI=1S/C39H38N4O/c1-3-4-5-6-7-16-25-44-39-36(42-34-21-14-15-22-35(34)43-39)24-23-33-28(2)40-37-26-31(29-17-10-8-11-18-29)32(27-38(37)41-33)30-19-12-9-13-20-30/h8-15,17-24,26-27H,3-7,16,25H2,1-2H3/b24-23+

description: This dataset contains experimental data from a sample (InChI=1S/C39H38N4O/c1-3-4-5-6-7-16-25-44-39-36(42-34-21-14-15-22-35(34)43-39)24-23-33-28(2)40-37-26-31(29-17-10-8-11-18-29)32(27-38(37)41-33)30-19-12-9-13-20-30/h8-15,17-24,26-27H,3-7,16,25H2,1-2H3/b24-23+). 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/kybsmjxyygcinl-wcwdxbqesa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C39H38N4O/c1-3-4-5-6-7-16-25-44-39-36(42-34-21-14-15-22-35(34)43-39)24-23-33-28(2)40-37-26-31(29-17-10-8-11-18-29)32(27-38(37)41-33)30-19-12-9-13-20-30/h8-15,17-24,26-27H,3-7,16,25H2,1-2H3/b24-23+

description: dataset for mass spectrometry (MS) MS (ESI), m/z (%): 580 (43) [M+2H]+, 579 (100) [M+H]+. HRMS–ESI(m/z): [M + H]+ calcd for C39H39N4O 579.3045; found 579.3110.
DOI: 10.14272/kybsmjxyygcinl-wcwdxbqesa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C39H38N4O/c1-3-4-5-6-7-16-25-44-39-36(42-34-21-14-15-22-35(34)43-39)24-23-33-28(2)40-37-26-31(29-17-10-8-11-18-29)32(27-38(37)41-33)30-19-12-9-13-20-30/h8-15,17-24,26-27H,3-7,16,25H2,1-2H3/b24-23+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.27 ppm], ppm) δ = 0.79–0.88 (m, 3H, CH2CH3), 1.15–1.47 (m, 8H, CH2), 1.50–1.62 (m, 2H, CH2), 1.90–2.01 (m, 2H, CH2), 3.00 (s, 3H, CH3), 4.58 (t, J = 6.7 Hz, 2H, OCH2), 7.13–7.32 (m, 10H, HPhenyl), 7.51–7.60 (m, 1H, HQuinoxaline), 7.60–7.66 (m, 1H, HQuinoxaline), 7.77–7.84 (m, 1H, HQuinoxaline), 8.01–8.10 (m, 2H, HQuinoxaline), 8.16 (s, 1H, HQuinoxaline), 8.44 (d, J = 15.4 Hz, 1H, HAlkene), 8.49 (d, J = 15.4 Hz, 1H, HAlkene).Impurities : 3.66 and 2.38 ppm. CDCl3 signal overlapped by signal at 7.13–7.32 ppm.
DOI: 10.14272/kybsmjxyygcinl-wcwdxbqesa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C39H38N4O/c1-3-4-5-6-7-16-25-44-39-36(42-34-21-14-15-22-35(34)43-39)24-23-33-28(2)40-37-26-31(29-17-10-8-11-18-29)32(27-38(37)41-33)30-19-12-9-13-20-30/h8-15,17-24,26-27H,3-7,16,25H2,1-2H3/b24-23+

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), 23.2 (CH3), 26.4 (CH2), 29.0 (CH2), 29.4 (CH2), 29.5 (CH2), 31.9 (CH2), 67.2 (CH2), 126.9 (2C, CH), 127.2 (CH), 127.3 (CH), 128.2 (4C, CH), 129.1 (CH), 129.5 (CH), 130.1 (5C, CH), 130.3 (CH), 130.7 (CH), 130.9 (CH), 139.1 (Cq), 140.5 (Cq), 140.6 (Cq), 140.7 (Cq), 140.9 (Cq), 141.0 (Cq), 142.9 (Cq), 143.2 (Cq), 143.4 (Cq), 149.6 (Cq), 153.7 (Cq), 156.3 (Cq).
DOI: 10.14272/kybsmjxyygcinl-wcwdxbqesa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C39H38N4O/c1-3-4-5-6-7-16-25-44-39-36(42-34-21-14-15-22-35(34)43-39)24-23-33-28(2)40-37-26-31(29-17-10-8-11-18-29)32(27-38(37)41-33)30-19-12-9-13-20-30/h8-15,17-24,26-27H,3-7,16,25H2,1-2H3/b24-23+

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/kybsmjxyygcinl-wcwdxbqesa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C39H38N4O/c1-3-4-5-6-7-16-25-44-39-36(42-34-21-14-15-22-35(34)43-39)24-23-33-28(2)40-37-26-31(29-17-10-8-11-18-29)32(27-38(37)41-33)30-19-12-9-13-20-30/h8-15,17-24,26-27H,3-7,16,25H2,1-2H3/b24-23+

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/kybsmjxyygcinl-wcwdxbqesa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C39H38N4O/c1-3-4-5-6-7-16-25-44-39-36(42-34-21-14-15-22-35(34)43-39)24-23-33-28(2)40-37-26-31(29-17-10-8-11-18-29)32(27-38(37)41-33)30-19-12-9-13-20-30/h8-15,17-24,26-27H,3-7,16,25H2,1-2H3/b24-23+

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3081, 3058, 3003, 2953, 2924, 2871, 2850, 1609, 1572, 1553, 1493, 1465, 1453, 1439, 1412, 1373, 1364, 1334, 1317, 1305, 1273, 1220, 1179, 1166, 1150, 1136, 1074, 1033, 1018, 1007, 1000, 975, 959, 922, 897, 878, 844, 819, 799, 765, 755, 731, 713, 698, 670, 622, 605, 592, 560, 531, 516, 497, 473, 442, 411, 399, 390 cm–1.
DOI: 10.14272/lchrvgbgmueflv-vphdgdojsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C65H54N6O6/c1-4-5-6-7-8-17-36-77-63-57(66-52-22-15-16-23-53(52)71-63)35-34-55-54(67-58-37-48(42-18-11-9-12-19-42)49(38-59(58)68-55)43-20-13-10-14-21-43)32-33-56-62(41-72)70-61-40-51(45-26-30-47(31-27-45)65(74)76-3)50(39-60(61)69-56)44-24-28-46(29-25-44)64(73)75-2/h9-16,18-35,37-41H,4-8,17,36H2,1-3H3/b33-32+,35-34+

description: dataset for mass spectrometry (MS) MS (ESI), m/z (%): 1017 (28) [M+3H]+, 1016 (74) [M+2H]+, 1015 (100) [M+H]+. HRMS–ESI (m/z): [M + H]+ calcd for C65H55N6O6 1015.4105; found 1015.4179.
DOI: 10.14272/lchrvgbgmueflv-vphdgdojsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C65H54N6O6/c1-4-5-6-7-8-17-36-77-63-57(66-52-22-15-16-23-53(52)71-63)35-34-55-54(67-58-37-48(42-18-11-9-12-19-42)49(38-59(58)68-55)43-20-13-10-14-21-43)32-33-56-62(41-72)70-61-40-51(45-26-30-47(31-27-45)65(74)76-3)50(39-60(61)69-56)44-24-28-46(29-25-44)64(73)75-2/h9-16,18-35,37-41H,4-8,17,36H2,1-3H3/b33-32+,35-34+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3 [77.0 ppm], ppm) δ = 14.2 (CH2CH3), 22.7 (CH2), 26.3 (CH2), 28.9 (CH2), 29.4 (CH2), 29.4 (CH2), 31.9 (CH2), 52.4 (2C, OCH3), 67.2 (OCH2), 127.0 (2C, CH), 127.4 (2C, CH), 128.2 (4C, CH), 129.0 (CH), 129.6 (Cq), 129.8 (Cq), 129.8 (4C, C), 130.0 (4C, CH), 130.0 (2C, CH), 130.1 (2C, CH), 130.2 (CH), 130.5 (CH), 130.8 (2C, CH), 130.9 (CH), 131.0 (CH), 131.1 (CH), 131.4 (CH), 132.9 (CH), 138.9 (Cq), 140.4 (Cq), 140.4 (Cq), 140.7 (Cq), 140.9 (Cq), 141.6 (Cq), 141.7 (Cq), 142.7 (Cq), 143.1 (Cq), 143.2 (Cq), 144.0 (Cq), 144.0 (Cq), 144.1 (Cq), 144.2 (Cq), 145.1 (Cq), 145.5 (Cq), 148.9 (Cq), 149.2 (Cq), 149.5 (Cq), 156.3 (Cq), 166.7 (CqOO), 166.8 (CqOO), 193.5 (CHO). Impurities: 20.3, 29.8, 33.2 and 51.7 ppm.
DOI: 10.14272/lchrvgbgmueflv-vphdgdojsa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C65H54N6O6/c1-4-5-6-7-8-17-36-77-63-57(66-52-22-15-16-23-53(52)71-63)35-34-55-54(67-58-37-48(42-18-11-9-12-19-42)49(38-59(58)68-55)43-20-13-10-14-21-43)32-33-56-62(41-72)70-61-40-51(45-26-30-47(31-27-45)65(74)76-3)50(39-60(61)69-56)44-24-28-46(29-25-44)64(73)75-2/h9-16,18-35,37-41H,4-8,17,36H2,1-3H3/b33-32+,35-34+

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/lchrvgbgmueflv-vphdgdojsa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C65H54N6O6/c1-4-5-6-7-8-17-36-77-63-57(66-52-22-15-16-23-53(52)71-63)35-34-55-54(67-58-37-48(42-18-11-9-12-19-42)49(38-59(58)68-55)43-20-13-10-14-21-43)32-33-56-62(41-72)70-61-40-51(45-26-30-47(31-27-45)65(74)76-3)50(39-60(61)69-56)44-24-28-46(29-25-44)64(73)75-2/h9-16,18-35,37-41H,4-8,17,36H2,1-3H3/b33-32+,35-34+

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/lchrvgbgmueflv-vphdgdojsa-n.1
title: dimethyl 2-formyl-3-((E)-2-(3-((E)-2-(3-(octyloxy)quinoxalin-2-yl)vinyl)-6,7-diphenylquinoxalin-2-yl)vinyl)quinoxaline-6,7-dicarboxylate
title: InChI=1S/C65H54N6O6/c1-4-5-6-7-8-17-36-77-63-57(66-52-22-15-16-23-53(52)71-63)35-34-55-54(67-58-37-48(42-18-11-9-12-19-42)49(38-59(58)68-55)43-20-13-10-14-21-43)32-33-56-62(41-72)70-61-40-51(45-26-30-47(31-27-45)65(74)76-3)50(39-60(61)69-56)44-24-28-46(29-25-44)64(73)75-2/h9-16,18-35,37-41H,4-8,17,36H2,1-3H3/b33-32+,35-34+

description: This dataset contains experimental data from a sample (InChI=1S/C65H54N6O6/c1-4-5-6-7-8-17-36-77-63-57(66-52-22-15-16-23-53(52)71-63)35-34-55-54(67-58-37-48(42-18-11-9-12-19-42)49(38-59(58)68-55)43-20-13-10-14-21-43)32-33-56-62(41-72)70-61-40-51(45-26-30-47(31-27-45)65(74)76-3)50(39-60(61)69-56)44-24-28-46(29-25-44)64(73)75-2/h9-16,18-35,37-41H,4-8,17,36H2,1-3H3/b33-32+,35-34+). 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/lchrvgbgmueflv-vphdgdojsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C65H54N6O6/c1-4-5-6-7-8-17-36-77-63-57(66-52-22-15-16-23-53(52)71-63)35-34-55-54(67-58-37-48(42-18-11-9-12-19-42)49(38-59(58)68-55)43-20-13-10-14-21-43)32-33-56-62(41-72)70-61-40-51(45-26-30-47(31-27-45)65(74)76-3)50(39-60(61)69-56)44-24-28-46(29-25-44)64(73)75-2/h9-16,18-35,37-41H,4-8,17,36H2,1-3H3/b33-32+,35-34+

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2949, 2922, 2851, 1717, 1606, 1571, 1553, 1520, 1513, 1493, 1463, 1435, 1415, 1401, 1366, 1310, 1273, 1224, 1180, 1162, 1136, 1102, 1075, 1033, 1016, 1001, 973, 892, 857, 820, 792, 768, 758, 731, 698, 633, 622, 605, 592, 562, 550, 514, 486, 442, 408, 392, 382 cm–1.
DOI: 10.14272/lchrvgbgmueflv-vphdgdojsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C65H54N6O6/c1-4-5-6-7-8-17-36-77-63-57(66-52-22-15-16-23-53(52)71-63)35-34-55-54(67-58-37-48(42-18-11-9-12-19-42)49(38-59(58)68-55)43-20-13-10-14-21-43)32-33-56-62(41-72)70-61-40-51(45-26-30-47(31-27-45)65(74)76-3)50(39-60(61)69-56)44-24-28-46(29-25-44)64(73)75-2/h9-16,18-35,37-41H,4-8,17,36H2,1-3H3/b33-32+,35-34+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm], ppm) δ = 0.75–0.83 (m, 3H, CH3), 1.07–1.37 (m, 8H, CH2), 1.42–1.55 (m, 2H, CH2), 1.89–2.00 (m, 2H, CH2), 3.93 (s, 6H, OCH3), 4.58 (t, J = 6.8 Hz, 2H, OCH2), 7.27–7.37 (m, 14H, HPhenyl), 7.48–7.55 (m, 1H, HQuinoxaline), 7.59–7.66 (m, 1H, HQuinoxaline), 7.77–7.84 (m, 1H, HQuinoxaline), 7.92–8.00 (m, 4H, HPhenyl), 8.01–8.05 (m, 1H, HQuinoxaline), 8.16 (s, 1H, HQuinoxaline), 8.23 (s, 1H, HQuinoxaline), 8.26 (s, 1H, HQuinoxaline), 8.32 (s, 1H, HQuinoxaline), 8.51 (d, J = 15.3 Hz, 1H, HAlkene), 8.78 (d, J = 15.4 Hz, 1H, HAlkene), 8.90 (d, J = 14.9 Hz, 1H, HAlkene), 9.23 (d, J = 14.9 Hz, 1H HAlkene), 10.42 (s, 1H, CHO). Impurities: 3.75, 3.67, 3.48 and 2.38 ppm.
DOI: 10.14272/qcgqheftblbccj-jlxbfwjwsa-n/chmo0000597.1
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C39H23F17N6O/c1-20-21(58-23-9-3-2-8-22(23)57-20)14-15-28-29(60-25-11-5-4-10-24(25)59-28)16-17-30-31(62-27-13-7-6-12-26(27)61-30)63-19-18-32(40,41)33(42,43)34(44,45)35(46,47)36(48,49)37(50,51)38(52,53)39(54,55)56/h2-17H,18-19H2,1H3/b15-14+,17-16+

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (377 MHz, CDCl3, ppm) δ = -80.74 (t, J = 10.1 Hz, CF3), -112.31 – -113.87 (m, CF2), -121.35 – -121.73 (m, CF2), -121.71 – -122.14 (m, 2 x CF2), -122.46 – -122.94 (m, CF2), -123.14 – -123.59 (m, CF2), -125.84 – -126.32 (m, CF2).
DOI: 10.14272/qcgqheftblbccj-jlxbfwjwsa-n/chmo0000292.2
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C39H23F17N6O/c1-20-21(58-23-9-3-2-8-22(23)57-20)14-15-28-29(60-25-11-5-4-10-24(25)59-28)16-17-30-31(62-27-13-7-6-12-26(27)61-30)63-19-18-32(40,41)33(42,43)34(44,45)35(46,47)36(48,49)37(50,51)38(52,53)39(54,55)56/h2-17H,18-19H2,1H3/b15-14+,17-16+

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, CH2Cl2 [18 µmol/L], 21 °C), λmax (log ε in M-1cm-1) = 387 (4.48), 337 (4.45), 282 (4.49) nm.
DOI: 10.14272/qcgqheftblbccj-jlxbfwjwsa-n/chmo0000292.3
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C39H23F17N6O/c1-20-21(58-23-9-3-2-8-22(23)57-20)14-15-28-29(60-25-11-5-4-10-24(25)59-28)16-17-30-31(62-27-13-7-6-12-26(27)61-30)63-19-18-32(40,41)33(42,43)34(44,45)35(46,47)36(48,49)37(50,51)38(52,53)39(54,55)56/h2-17H,18-19H2,1H3/b15-14+,17-16+

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (emission, CH2Cl2 [18 µmol/L], 21 °C), λmax = 482, 455 nm.