cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/vswkzjyvjraepl-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C39H32NOP/c41-42(35-9-3-1-4-10-35,36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38/h1-13,16-21,23-24,26-28H,14-15,22,25H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 157.3 (Cq, CAr), 149.8 (+, CH, CAr), 146.6 (d, J = 7.8 Hz, Cq, CAr), 141.9 (Cq, CAr), 141.4 (Cq, CAr), 139.4 (Cq, CAr), 139.3 (Cq, CAr), 139.2(Cq, CAr), 137.9 (Cq, CAr), 137.6 (+, CH, CAr), 137.1 (+, CH, CAr), 136.8 (+, CH, CAr), 136.6 (+, d, J = 13.0 Hz, CH, CAr), 136.0 (+, d, J = 3.0 Hz, CH, CAr), 135.1 (+, d, J = 104.3 Hz, CH, CAr), 132.9 (+, d, J = 103.2 Hz, Cq, CAr), 132.6 (d, J = 11.7 Hz, Cq, CAr), 132.1 (+, d, J = 8.8 Hz, 2C, CH, CAr), 131.5 (+, d, J = 9.3 Hz, CH, CAr), 131.4 (+, d, J = 9.8 Hz, 2C, CH, CAr), 131.3 (+, 2C, CH, CAr), 130.8 (d, J = 104.5 Hz, Cq, CAr), 130.1 (+, 2C, CH, CAr), 128.4 (+, d, J = 12.4 Hz, 2C, CH, CAr), 128.3 (+, d, J = 12.4 Hz, 2C, CH, CAr), 127.1 (+, 2C, CH, CAr), 122.1 (+, CH, CAr), 120.5 (+, CH, CAr), 35.0 (–, CH2), 34.9 (–, CH2), 34.8 (–, CH2), 33.9 (–, CH2).
DOI: 10.14272/vswkzjyvjraepl-uhfffaoysa-n.1
title: C39H32NOP
title: InChI=1S/C39H32NOP/c41-42(35-9-3-1-4-10-35,36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38/h1-13,16-21,23-24,26-28H,14-15,22,25H2

description: This dataset contains experimental data from a sample (InChI=1S/C39H32NOP/c41-42(35-9-3-1-4-10-35,36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38/h1-13,16-21,23-24,26-28H,14-15,22,25H2). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 31P nuclear magnetic resonance spectroscopy (31P NMR) electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/vswkzjyvjraepl-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C39H32NOP/c41-42(35-9-3-1-4-10-35,36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38/h1-13,16-21,23-24,26-28H,14-15,22,25H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3048 (vw), 3007 (vw), 2951 (w), 2925 (w), 2897 (vw), 2851 (vw), 1608 (vw), 1585 (w), 1572 (w), 1463 (m), 1434 (m), 1391 (w), 1296 (vw), 1179 (m), 1153 (w), 1137 (w), 1109 (m), 1067 (w), 1013 (w), 989 (w), 963 (w), 918 (w), 854 (w), 841 (w), 783 (m), 741 (s), 715 (s), 705 (vs), 694 (vs), 662 (w), 618 (w), 605 (w), 558 (vs), 538 (vs), 520 (vs), 483 (m), 462 (m), 435 (m), 401 (m), 382 (w), 377 (w) cm–1.
DOI: 10.14272/vswkzjyvjraepl-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C39H32NOP/c41-42(35-9-3-1-4-10-35,36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38/h1-13,16-21,23-24,26-28H,14-15,22,25H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.73 (dt, J = 4.8, 1.5 Hz, 1H, HAr), 8.09 (d, J = 8.3 Hz, 2H, HAr), 7.81 – 7.76 (m, 2H, HAr), 7.76 – 7.69 (m, 2H, HAr), 7.64 – 7.58 (m, 2H, HAr), 7.58 – 7.46 (m, 5H, HAr), 7.45 – 7.40 (m, 1H, HAr), 7.38 – 7.30 (m, 3H, HAr), 7.26 – 7.20 (m, 1H, HAr), 6.77 – 6.68 (m, 2H, HAr), 6.67 (d, J = 1.9 Hz, 1H, HAr), 6.41 (d, J = 14.6 Hz, 1H, HAr), 6.32 (dd, J = 7.8, 1.9 Hz, 1H, HAr), 3.50 – 3.33 (m, 2H, HPc), 3.33 – 3.24 (m, 1H, HPc), 3.24 – 3.10 (m, 2H, HPc), 2.97 (ddd, J = 13.1, 10.6, 5.2 Hz, 1H, HPc), 2.83 (ddd, J = 13.3, 10.6, 5.2 Hz, 1H, HPc), 2.51 – 2.44 (m, 1H, HPc).
DOI: 10.14272/vswkzjyvjraepl-uhfffaoysa-n/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) ()
title: InChI=1S/C39H32NOP/c41-42(35-9-3-1-4-10-35,36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38/h1-13,16-21,23-24,26-28H,14-15,22,25H2

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P NMR (162 MHz, CDCl3, ppm) δ = 26.7 (s).
DOI: 10.14272/gakchcjsymshmc-uhfffaoysa-m.1
title: C39H32AuClNP
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38;;/h1-13,16-21,23-24,26-28H,14-15,22,25H2;;1H/q;+1;/p-1

description: This dataset contains experimental data from a sample (InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38;;/h1-13,16-21,23-24,26-28H,14-15,22,25H2;;1H/q;+1;/p-1). The datasets from the following experiments are available: 13C nuclear magnetic resonance spectroscopy (13C NMR) electrospray ionisation mass spectrometry (ESMS) infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 31P nuclear magnetic resonance spectroscopy (31P NMR)
DOI: 10.14272/gakchcjsymshmc-uhfffaoysa-m/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38;;/h1-13,16-21,23-24,26-28H,14-15,22,25H2;;1H/q;+1;/p-1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3044 (w), 2918 (w), 2849 (w), 1713 (vw), 1677 (vw), 1584 (m), 1572 (w), 1475 (w), 1462 (m), 1434 (vs), 1391 (m), 1364 (w), 1295 (w), 1183 (w), 1098 (s), 1010 (w), 980 (vw), 955 (vw), 919 (w), 853 (s), 807 (vw), 786 (vs), 751 (m), 738 (s), 707 (s), 691 (vs), 650 (w), 625 (w), 608 (w), 595 (vw), 584 (w), 558 (w), 533 (s), 531 (s), 510 (vs), 489 (vs), 469 (m), 436 (m), 424 (s), 399 (m), 381 (m) cm–1.
DOI: 10.14272/gakchcjsymshmc-uhfffaoysa-m/chmo0000482
title: electrospray ionisation mass spectrometry (ESMS) ()
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38;;/h1-13,16-21,23-24,26-28H,14-15,22,25H2;;1H/q;+1;/p-1

description: dataset for electrospray ionisation mass spectrometry (ESMS) HRMS (ESI+, [M+H]+, C39H33AuClNP) calcd.: 778.1699; found: 778.1693.
DOI: 10.14272/gakchcjsymshmc-uhfffaoysa-m/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) ()
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38;;/h1-13,16-21,23-24,26-28H,14-15,22,25H2;;1H/q;+1;/p-1

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P NMR (162 MHz, CDCl3, ppm) δ = 29.5 (s).
DOI: 10.14272/gakchcjsymshmc-uhfffaoysa-m/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38;;/h1-13,16-21,23-24,26-28H,14-15,22,25H2;;1H/q;+1;/p-1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = (dt, J = 4.9, 1.5 Hz, 1H, HAr), 8.03 (d, J = 8.3 Hz, 2H, HAr), 7.76 – 7.68 (m, 2H, HAr), 7.64 (d, J = 7.9 Hz, 1H, HAr), 7.58 – 7.46 (m, 5H, HAr), 7.46 – 7.32 (m, 5H, HAr), 7.32 – 7.23 (m, 2H, HAr), 7.22 – 7.16 (m, 1H, HAr), 6.69 – 6.61 (m, 2H, HAr), 6.58 (dd, J = 7.8, 5.4 Hz, 1H, HAr), 6.17 (dd, J = 7.9, 1.9 Hz, 1H, HAr), 6.00 (dd, J = 14.7, 1.7 Hz, 1H, HAr), 3.66 (ddd, J = 13.3, 10.5, 4.9 Hz, 1H, HPc), 3.45 – 3.30 (m, 2H, HPc), 3.17 – 3.03 (m, 2H, HPc), 2.93 (ddd, J = 13.2, 10.8, 5.1 Hz, 1H, HPc), 2.72 (ddd, J = 13.3, 10.5, 5.0 Hz, 1H, HPc), 2.46 (ddd, J = 15.3, 10.7, 4.9 Hz, 1H, HPc).The spectrum contains water and H-grease
DOI: 10.14272/gakchcjsymshmc-uhfffaoysa-m/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38;;/h1-13,16-21,23-24,26-28H,14-15,22,25H2;;1H/q;+1;/p-1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 157.9 (Cq, CAr), 149.5 (+, CH, CAr), 145.0 (d, J = 9.5 Hz, Cq, CAr), 142.3 (Cq, CAr), 140.9 (Cq, CAr), 140.5 (d, J = 10.8 Hz, Cq, CAr), 139.6 (Cq, CAr), 139.2 (Cq, CAr), 137.2 (d, J = 9.6 Hz, Cq, CAr), 137.0 (+, CH, CAr), 136.5 (+, CH, CAr), 136.4 (+, d, J = 5.9 Hz, CH, CAr), 136.3 (+, d, J = 6.6 Hz, CH, CAr), 136.1 (+, CH, CAr), 135.4 (+, CH, CAr), 133.5 (+, d, J = 14.0 Hz, CH, CAr), 133.2 (d, J = 62.4 Hz, Cq, CAr), 132.6 (+, CH, CAr), 132.1 (+, d, J = 2.8 Hz, 2C, CH, CAr), 131.3 (+, d, J = 2.8 Hz, 2C, CH, CAr), 130.7 (+, CH, CAr), 130.5 (+, 2C, CH, CAr), 128.9 (+, t, J = 12.0 Hz, 4C, CH, CAr), 128.7 (+, 2C, CH, CAr), 128.3 (Cq, CAr), 124.7 (d, J = 60.3 Hz, Cq, CAr), 122.2 (+, CH, CAr), 122.1 (+, CH, CAr), 36.3 (–, d, J = 8.0 Hz, CH2), 35.4 (–, CH2), 35.2 (–, CH2), 33.9 (–, CH2).
DOI: 10.14272/gakchcjsymshmc-uhfffaoysa-m/chmo0000630.1
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38;;/h1-13,16-21,23-24,26-28H,14-15,22,25H2;;1H/q;+1;/p-1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2918 (w), 2849 (w), 1585 (m), 1572 (w), 1477 (w), 1463 (m), 1432 (s), 1414 (w), 1391 (w), 1264 (w), 1181 (w), 1152 (w), 1095 (m), 1027 (w), 1013 (w), 997 (w), 989 (w), 912 (w), 850 (m), 781 (s), 732 (vs), 707 (m), 693 (vs), 649 (w), 616 (w), 608 (w), 548 (m), 534 (m), 510 (s), 490 (s), 472 (m), 466 (m), 445 (w), 419 (w), 402 (w) cm–1.
DOI: 10.14272/gakchcjsymshmc-uhfffaoysa-m/chmo0000473
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) ()
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38;;/h1-13,16-21,23-24,26-28H,14-15,22,25H2;;1H/q;+1;/p-1

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS) HRMS (APCI, [M+H]+, C39H33AuClNP) calcd 778.1699; found 778.1681.
DOI: 10.14272/gakchcjsymshmc-uhfffaoysa-m/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38;;/h1-13,16-21,23-24,26-28H,14-15,22,25H2;;1H/q;+1;/p-1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.76 (d, J = 4.1 Hz, 1H, HAr), 8.22 (d, J = 8.0 Hz, 2H, HAr), 8.10 (d, J = 7.9 Hz, 1H, HAr), 7.83 (td, J = 7.7, 1.9 Hz, 1H, HAr), 7.48 (pd, J = 7.6, 6.2, 3.6 Hz, 6H, HAr), 7.29–7.24 (m, 3H, HAr), 7.14 (td, J = 7.8, 2.5 Hz, 2H, HAr), 6.93 (dd, J = 13.3, 7.3 Hz, 2H, HAr), 6.87 (d, J = 7.6 Hz, 1H, HAr), 6.82 (d, J = 7.6 Hz, 1H, HAr), 6.74 (dd, J = 7.6, 5.2 Hz, 1H, HAr), 6.68 (dd, J = 7.7, 1.9 Hz, 1H, HAr), 6.59 (s, 1H, HAr), 6.45 (dd, J = 15.0, 1.7 Hz, 1H, HAr), 4.10 (ddd, J = 13.6, 9.9, 7.0 Hz, 1H, HPc), 3.59 (dd, J = 13.7, 9.7 Hz, 1H, HPc), 3.40–3.19 (m, 3H, HPc), 2.95 (ddd, J = 13.3, 9.9, 7.2 Hz, 1H, HPc), 2.76 (tdd, J = 13.5, 10.1, 7.2 Hz, 2H, HPc).
DOI: 10.14272/hjqmpthfoatqlq-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C29H24N2/c30-20-23-12-14-24(15-13-23)28-18-26-17-11-22-8-6-21(7-9-22)10-16-25(28)19-29(26)31-27-4-2-1-3-5-27/h1-9,12-15,18-19,31H,10-11,16-17H2

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA, %) m/z = 400 (100) [M]+HRMS (FAB, 3-NBA, C29H24N2): calcd. 400.1939; found 400.1940.
DOI: 10.14272/gakchcjsymshmc-uhfffaoysa-m/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38;;/h1-13,16-21,23-24,26-28H,14-15,22,25H2;;1H/q;+1;/p-1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 157.9 (Cq, CAr), 149.5 (+, CH, CAr), 145.0 (d, J = 9.5 Hz, Cq, CAr), 142.3 (Cq, CAr), 140.9 (Cq, CAr), 140.5 (d, J = 10.8 Hz, Cq, CAr), 139.6 (Cq, CAr), 139.2 (Cq, CAr), 137.2 (d, J = 9.6 Hz, Cq, CAr), 137.0 (+, CH, CAr), 136.5 (+, CH, CAr), 136.4 (+, d, J = 5.9 Hz, CH, CAr), 136.3 (+, d, J = 6.6 Hz, CH, CAr), 136.1 (+, CH, CAr), 135.4 (+, CH, CAr), 133.5 (+, d, J = 14.0 Hz, CH, CAr), 133.2 (d, J = 62.4 Hz, Cq, CAr), 132.6 (+, CH, CAr), 132.1 (+, d, J = 2.8 Hz, 2C, CH, CAr), 131.3 (+, d, J = 2.8 Hz, 2C, CH, CAr), 130.7 (+, CH, CAr), 130.5 (+, 2C, CH, CAr), 128.9 (+, t, J = 12.0 Hz, 4C, CH, CAr), 128.7 (+, 2C, CH, CAr), 128.3 (Cq, CAr), 124.7 (d, J = 60.3 Hz, Cq, CAr), 122.2 (+, CH, CAr), 122.1 (+, CH, CAr), 36.3 (–, d, J = 8.0 Hz, CH2), 35.4 (–, CH2), 35.2 (–, CH2), 33.9 (–, CH2).
DOI: 10.14272/hjqmpthfoatqlq-uhfffaoysa-n.1
title: C29H24N2
title: InChI=1S/C29H24N2/c30-20-23-12-14-24(15-13-23)28-18-26-17-11-22-8-6-21(7-9-22)10-16-25(28)19-29(26)31-27-4-2-1-3-5-27/h1-9,12-15,18-19,31H,10-11,16-17H2

description: This dataset contains experimental data from a sample (InChI=1S/C29H24N2/c30-20-23-12-14-24(15-13-23)28-18-26-17-11-22-8-6-21(7-9-22)10-16-25(28)19-29(26)31-27-4-2-1-3-5-27/h1-9,12-15,18-19,31H,10-11,16-17H2). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) fast-atom bombardment mass spectrometry (FABMS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/hjqmpthfoatqlq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C29H24N2/c30-20-23-12-14-24(15-13-23)28-18-26-17-11-22-8-6-21(7-9-22)10-16-25(28)19-29(26)31-27-4-2-1-3-5-27/h1-9,12-15,18-19,31H,10-11,16-17H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.75 (d, J = 8.4 Hz, 2H, HAr), 7.58 (d, J = 8.0 Hz, 2H, HAr), 7.46–7.35 (m, 1H, HAr), 7.29 (d, J = 7.9 Hz, 1H, HAr), 7.10 (dd, J = 7.8, 1.8 Hz, 1H, HAr), 7.01 (d, J = 7.9 Hz, 2H, HAr), 6.96 (d, J = 7.3 Hz, 1H, HAr), 6.63–6.51 (m, 3H, HAr), 6.47 (dd, J = 7.9, 1.8 Hz, 1H, HAr), 6.03 (s, 1H, HAr), 5.68 (s, 1H, NH), 3.30 (ddd, J = 13.1, 10.0, 2.5 Hz, 1H, CH2), 3.22–3.08 (m, 2H, CH2), 3.08–2.98 (m, 1H, CH2), 2.86 (ddd, J = 12.7, 10.2, 2.6 Hz, 1H, CH2), 2.81–2.67 (m, 2H, CH2), 2.59 (ddd, J = 12.6, 9.9, 5.5 Hz, 1H, CH2).
DOI: 10.14272/gakchcjsymshmc-uhfffaoysa-m.2
title: C39H32AuClNP
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38;;/h1-13,16-21,23-24,26-28H,14-15,22,25H2;;1H/q;+1;/p-1

description: This dataset contains experimental data from a sample (InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38;;/h1-13,16-21,23-24,26-28H,14-15,22,25H2;;1H/q;+1;/p-1). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) atmospheric pressure chemical ionisation mass spectrometry (APCI MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 31P nuclear magnetic resonance spectroscopy (31P NMR)
DOI: 10.14272/gakchcjsymshmc-uhfffaoysa-m/chmo0000739.1
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) ()
title: InChI=1S/C39H32NP.Au.ClH/c1-3-9-35(10-4-1)41(36-11-5-2-6-12-36)39-28-30-15-14-29-16-18-31(22-25-34(39)19-17-30)37(27-29)32-20-23-33(24-21-32)38-13-7-8-26-40-38;;/h1-13,16-21,23-24,26-28H,14-15,22,25H2;;1H/q;+1;/p-1

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P NMR (162 MHz, CDCl3, ppm) δ = 28.1 (s).
DOI: 10.14272/hjqmpthfoatqlq-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C29H24N2/c30-20-23-12-14-24(15-13-23)28-18-26-17-11-22-8-6-21(7-9-22)10-16-25(28)19-29(26)31-27-4-2-1-3-5-27/h1-9,12-15,18-19,31H,10-11,16-17H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3369 (m), 3036 (w), 3007 (w), 2941 (w), 2928 (w), 2905 (w), 2859 (w), 2225 (s), 1601 (w), 1585 (vs), 1557 (vs), 1513 (w), 1497 (vs), 1477 (vs), 1462 (m), 1436 (w), 1411 (m), 1394 (m), 1324 (vs), 1313 (vs), 1285 (s), 1249 (m), 1242 (m), 1203 (w), 1176 (m), 1160 (w), 1133 (w), 1109 (w), 1094 (w), 1078 (w), 1027 (w), 999 (w), 993 (w), 969 (w), 956 (w), 935 (w), 907 (m), 895 (w), 878 (m), 851 (m), 836 (vs), 805 (w), 795 (m), 744 (vs), 728 (vs), 715 (vs), 697 (s), 686 (vs), 645 (w), 620 (w), 613 (w), 595 (m), 572 (s), 554 (w), 535 (m), 510 (vs), 477 (vs), 458 (vs), 424 (s), 409 (s), 392 (m), 382 (s) cm–1.
DOI: 10.14272/hjqmpthfoatqlq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C29H24N2/c30-20-23-12-14-24(15-13-23)28-18-26-17-11-22-8-6-21(7-9-22)10-16-25(28)19-29(26)31-27-4-2-1-3-5-27/h1-9,12-15,18-19,31H,10-11,16-17H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 145.9 (Cq), 142.6 (Cq), 141.3 (Cq), 139.2 (Cq), 139.2 (Cq), 138.4 (Cq), 135.4 (+, CArH), 134.3 (Cq), 132.5 (+, 2C, CArH), 132.5 (+, 2C, CArH), 131.5 (+, CArH), 130.0 (+, 2C, CArH), 130.0 (+, 2C, CArH), 129.5 (+, CArH), 129.4 (Cq), 128.2 (+, CArH), 127.1 (+, CArH), 121.3 (+, CArH), 119.4 (Cq), 117.5 (+, CArH), 110.0 (Cq), 34.6 (–, CH2), 33.7 (–, CH2), 33.6 (–, CH2), 33.3 (–, CH2).
DOI: 10.14272/rmzjttmhtwobrs-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) (N-phenyl-15-[4-(N-phenylanilino)phenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaen-5-amine)
title: InChI=1S/C40H34N2/c1-4-10-35(11-5-1)41-40-29-33-22-20-30-16-18-31(19-17-30)21-23-34(40)28-39(33)32-24-26-38(27-25-32)42(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-19,24-29,41H,20-23H2

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA, %) m/z = 542 (87) [M]+, 299 (80) [C22H21N]+ . HRMS (FAB, [M]+, C40H34N2): calcd 542.2722; found 542.2723.
DOI: 10.14272/rmzjttmhtwobrs-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (N-phenyl-15-[4-(N-phenylanilino)phenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaen-5-amine)
title: InChI=1S/C40H34N2/c1-4-10-35(11-5-1)41-40-29-33-22-20-30-16-18-31(19-17-30)21-23-34(40)28-39(33)32-24-26-38(27-25-32)42(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-19,24-29,41H,20-23H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3371 (m), 3050 (w), 3026 (w), 3006 (w), 2949 (w), 2922 (m), 2888 (w), 2850 (w), 1591 (s), 1562 (m), 1492 (vs), 1483 (vs), 1451 (m), 1434 (vs), 1408 (m), 1391 (w), 1305 (s), 1278 (s), 1237 (m), 1207 (w), 1173 (m), 1150 (m), 1113 (w), 1091 (m), 1075 (w), 1027 (w), 996 (w), 976 (w), 945 (w), 938 (w), 897 (m), 881 (s), 875 (s), 839 (w), 813 (w), 800 (m), 741 (vs), 715 (vs), 693 (vs), 659 (s), 642 (s), 629 (m), 615 (m), 588 (w), 572 (w), 509 (vs), 492 (s), 453 (m), 438 (s), 432 (s), 407 (s), 382 (vs), 375 (vs) cm–1.
DOI: 10.14272/wbkjcwczcvchlh-uhfffaoysa-n.1
title: 5-bromo-12-diphenylphosphoryltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
title: InChI=1S/C28H24BrOP/c29-27-19-21-11-12-22-14-16-24(18-17-23(27)15-13-21)28(20-22)31(30,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-10,13-16,19-20H,11-12,17-18H2

description: This dataset contains experimental data from a sample (5-bromo-12-diphenylphosphoryltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene, InChI=1S/C28H24BrOP/c29-27-19-21-11-12-22-14-16-24(18-17-23(27)15-13-21)28(20-22)31(30,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-10,13-16,19-20H,11-12,17-18H2). The datasets from the following experiments are available: fast-atom bombardment mass spectrometry (FABMS) infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 31P nuclear magnetic resonance spectroscopy (31P NMR)
DOI: 10.14272/wbkjcwczcvchlh-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) (5-bromo-12-diphenylphosphoryltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C28H24BrOP/c29-27-19-21-11-12-22-14-16-24(18-17-23(27)15-13-21)28(20-22)31(30,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-10,13-16,19-20H,11-12,17-18H2

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA, %) m/z = 489/487 (95/100) [M+H]+, 305 (95/100) [M–C8H6Br]+. HRMS (FAB, [M]+, C28H24O79BrP) calcd 487.0826; found 487.0826.
DOI: 10.14272/rmzjttmhtwobrs-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (N-phenyl-15-[4-(N-phenylanilino)phenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaen-5-amine)
title: InChI=1S/C40H34N2/c1-4-10-35(11-5-1)41-40-29-33-22-20-30-16-18-31(19-17-30)21-23-34(40)28-39(33)32-24-26-38(27-25-32)42(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-19,24-29,41H,20-23H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6, ppm) δ = 7.76 (s, 1H, HAr), 7.40 (d, J = 8.6 Hz, 2H, HAr), 7.37–7.32 (m, 4H, HAr), 7.17 (dd, J = 8.5, 7.2 Hz, 2H, HAr), 7.12–7.02 (m, 9H, HAr), 6.97–6.88 (m, 2H, HAr), 6.79–6.72 (m, 1H, HAr), 6.62–6.53 (m, 2H, HAr), 6.52–6.45 (m, 2H, HAr), 6.02 (s, 1H, HAr), 3.06–2.91 (m, 2H, CH2), 2.90–2.74 (m, 2H, CH2), 2.71–2.57 (m, 2H, CH2), 2.50–2.41 (m, 2H, CH2). Impurities:The spectrum contains ethyl acetate and H-grease.
DOI: 10.14272/wbkjcwczcvchlh-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (5-bromo-12-diphenylphosphoryltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C28H24BrOP/c29-27-19-21-11-12-22-14-16-24(18-17-23(27)15-13-21)28(20-22)31(30,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-10,13-16,19-20H,11-12,17-18H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3046 (w), 3006 (vw), 2966 (vw), 2942 (w), 2929 (w), 2894 (w), 2856 (w), 1584 (w), 1479 (w), 1463 (w), 1452 (vw), 1435 (m), 1394 (w), 1312 (vw), 1295 (vw), 1237 (vw), 1183 (s), 1174 (s), 1159 (w), 1140 (w), 1112 (s), 1101 (m), 1067 (w), 1033 (w), 1026 (w), 997 (w), 984 (vw), 962 (w), 948 (w), 915 (w), 907 (w), 874 (w), 846 (w), 836 (w), 810 (w), 799 (w), 754 (w), 747 (w), 728 (w), 720 (m), 705 (vs), 694 (vs), 667 (m), 652 (m), 616 (vw), 599 (w), 558 (vs), 533 (vs), 514 (vs), 493 (s), 480 (s), 463 (m), 439 (s), 409 (m), 404 (m) cm–1.
DOI: 10.14272/rmzjttmhtwobrs-uhfffaoysa-n.2
title: N-phenyl-15-[4-(N-phenylanilino)phenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaen-5-amine
title: InChI=1S/C40H34N2/c1-4-10-35(11-5-1)41-40-29-33-22-20-30-16-18-31(19-17-30)21-23-34(40)28-39(33)32-24-26-38(27-25-32)42(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-19,24-29,41H,20-23H2

description: This dataset contains experimental data from a sample (N-phenyl-15-[4-(N-phenylanilino)phenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaen-5-amine, InChI=1S/C40H34N2/c1-4-10-35(11-5-1)41-40-29-33-22-20-30-16-18-31(19-17-30)21-23-34(40)28-39(33)32-24-26-38(27-25-32)42(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-19,24-29,41H,20-23H2). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) fast-atom bombardment mass spectrometry (FABMS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)