cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/lcxuhirwdwprkn-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C17H17NO/c19-12-18-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2,(H,18,19)

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/lcxuhirwdwprkn-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C17H17NO/c19-12-18-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2,(H,18,19)

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/lcxuhirwdwprkn-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C17H17NO/c19-12-18-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2,(H,18,19)

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 252 [M + H]+ (27), 251 [M]+ (25), 155 (34), 154 (100), 139 (15), 138 (38), 137 (66), 136 (62), 120 (11), 107 (18), 91 (12), 90 (11), 89 (18).
DOI: 10.14272/lcxuhirwdwprkn-uhfffaoysa-n.1
title: C17H17NO
title: InChI=1S/C17H17NO/c19-12-18-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2,(H,18,19)

description: This dataset contains experimental data from a sample (InChI=1S/C17H17NO/c19-12-18-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2,(H,18,19)). The datasets from the following experiments are available: fast-atom bombardment mass spectrometry (FABMS) high resolution fast-atom bombardment mass spectrometry (HRFABMS) attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 1H--1H correlation spectroscopy (1H-1H COSY) 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/axkwwzktoilsmh-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C29H26N4/c1-2-4-24(5-3-1)19-31-29-28(32-27-20-30-16-17-33(27)29)26-18-23-11-10-21-6-8-22(9-7-21)12-14-25(26)15-13-23/h1-9,13,15-18,20,31H,10-12,14,19H2

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/axkwwzktoilsmh-uhfffaoysa-n.1
title: 2-(1,4(1,4)-Dibenzenacyclohexaphane-12-yl)-N-benzylimidazo[1,2-a]pyrazin-3-amine
title: InChI=1S/C29H26N4/c1-2-4-24(5-3-1)19-31-29-28(32-27-20-30-16-17-33(27)29)26-18-23-11-10-21-6-8-22(9-7-21)12-14-25(26)15-13-23/h1-9,13,15-18,20,31H,10-12,14,19H2

description: This dataset contains experimental data from a sample (InChI=1S/C29H26N4/c1-2-4-24(5-3-1)19-31-29-28(32-27-20-30-16-17-33(27)29)26-18-23-11-10-21-6-8-22(9-7-21)12-14-25(26)15-13-23/h1-9,13,15-18,20,31H,10-12,14,19H2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) fast-atom bombardment mass spectrometry (FABMS) high resolution fast-atom bombardment mass spectrometry (HRFABMS) attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) 1H--1H correlation spectroscopy (1H-1H COSY) 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.5281/zenodo.6901459
title: Dataset from: An intuitive form of the energy functional for resistive plasma perturbations

description: The energy functional of ideal magnetohydrodynamics (MHD) is extended to the regime of finite resistivity and transformed to an intuitive form, which separates pressure-gradient, current-density drive and stabilizing phenomena, analogously to the ideal version of the functional derived by Johnson and Greene. The resulting resistive energy functional is not in the form of a solvable eigenvalue problem but is intended to analyze the energetic composition of eigenfunctions which were calculated in advance by solving the MHD equations. The new resistive energy functional provides information on the different energetic drives and stabilizing phenomena of an eigenfunction. The new energy functional has been implemented in the CASTOR3D code in general 3D curvilinear coordinates and successfully validated across three different coordinate systems for a numerical test case.
DOI: 10.14272/axkwwzktoilsmh-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C29H26N4/c1-2-4-24(5-3-1)19-31-29-28(32-27-20-30-16-17-33(27)29)26-18-23-11-10-21-6-8-22(9-7-21)12-14-25(26)15-13-23/h1-9,13,15-18,20,31H,10-12,14,19H2

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/axkwwzktoilsmh-uhfffaoysa-n/chmo0000726
title: high resolution fast-atom bombardment mass spectrometry (HRFABMS) ()
title: InChI=1S/C29H26N4/c1-2-4-24(5-3-1)19-31-29-28(32-27-20-30-16-17-33(27)29)26-18-23-11-10-21-6-8-22(9-7-21)12-14-25(26)15-13-23/h1-9,13,15-18,20,31H,10-12,14,19H2

description: dataset for high resolution fast-atom bombardment mass spectrometry (HRFABMS) HRMS‑FAB (m/z): [M + H]+ calcd. for C29H27N4, 431.2236; found, 431.2238.
DOI: 10.14272/axkwwzktoilsmh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C29H26N4/c1-2-4-24(5-3-1)19-31-29-28(32-27-20-30-16-17-33(27)29)26-18-23-11-10-21-6-8-22(9-7-21)12-14-25(26)15-13-23/h1-9,13,15-18,20,31H,10-12,14,19H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3) δ [ppm] = 143.5 (CHAr), 140.4 (CAr), 139.6 (CAr), 139.4 (CAr), 138.6 (CAr), 138.4 (CAr), 137.8 (CAr), 136.9 (CAr), 135.5 (CHAr), 133.7 (CHAr), 133.4 (CHAr), 133.3 (CHAr), 132.8 (CHAr), 132.6 (CHAr), 132.2 (CHAr), 132.1 (CHAr), 128.9 (CAr), 128.8 (2C, CHAr), 128.2 (CHAr), 127.9 (2C, CHAr), 127.8 (CHAr), 115.4 (CHAr), 51.6 (CH2-Ph), 35.5 (CH2-PCP), 35.5 (CH2-PCP), 35.4 (CH2-PCP), 34.2 (CH2-PCP).
DOI: 10.14272/axkwwzktoilsmh-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C29H26N4/c1-2-4-24(5-3-1)19-31-29-28(32-27-20-30-16-17-33(27)29)26-18-23-11-10-21-6-8-22(9-7-21)12-14-25(26)15-13-23/h1-9,13,15-18,20,31H,10-12,14,19H2

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/axkwwzktoilsmh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C29H26N4/c1-2-4-24(5-3-1)19-31-29-28(32-27-20-30-16-17-33(27)29)26-18-23-11-10-21-6-8-22(9-7-21)12-14-25(26)15-13-23/h1-9,13,15-18,20,31H,10-12,14,19H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3) δ [ppm] = 9.10 (d, J = 1.5 Hz, 1H, CHAr), 7.90 (dd, J = 4.7 Hz, J = 1.5 Hz, 1H, CHAr), 7.82 (d, J = 4.6 Hz, 1H, CHAr), 7.26–7.18 (m, 3H, CHAr), 7.13 (dd, J = 6.7 Hz, J = 2.9 Hz, 2H, CHAr), 6.88 (d, J = 1.7 Hz, 1H, CHAr), 6.71–6.60 (m, 3H, CHAr), 6.60–6.53 (m, 3H, CHAr), 4.05–3.91 (m, 2H, CH2-Ph), 3.75 (t, J = 6.5 Hz, 1H, NH), 3.31–2.83 (m, 8H, CH2-PCP).Spectrum contains residual CH2Cl2, H-grease and ethyl acetate.
DOI: 10.14272/axkwwzktoilsmh-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C29H26N4/c1-2-4-24(5-3-1)19-31-29-28(32-27-20-30-16-17-33(27)29)26-18-23-11-10-21-6-8-22(9-7-21)12-14-25(26)15-13-23/h1-9,13,15-18,20,31H,10-12,14,19H2

description: dataset for fast-atom bombardment mass spectrometry (FABMS) FAB‑MS m/z (%): 432 (34), 431 [M + H]+ (100), 430 [M]+ (47), 429 (13), 339 (15), 327 (10), 235 (8), 154 (19), 137 (11), 136 (14), 91 (18).
DOI: 10.14272/axkwwzktoilsmh-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C29H26N4/c1-2-4-24(5-3-1)19-31-29-28(32-27-20-30-16-17-33(27)29)26-18-23-11-10-21-6-8-22(9-7-21)12-14-25(26)15-13-23/h1-9,13,15-18,20,31H,10-12,14,19H2

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3220 (w), 3058 (w), 3020 (w), 3007 (w), 2922 (m), 2885 (w), 2849 (m), 1666 (m), 1612 (w), 1592 (w), 1540 (vs), 1494 (s), 1452 (s), 1429 (s), 1409 (m), 1383 (m), 1357 (vs), 1347 (vs), 1288 (s), 1224 (m), 1193 (m), 1180 (s), 1152 (m), 1123 (w), 1072 (w), 1060 (m), 1026 (w), 1013 (m), 979 (w), 936 (w), 899 (m), 868 (w), 809 (m), 778 (vs), 731 (vs), 720 (vs), 696 (vs), 681 (s), 654 (s), 639 (m), 605 (s), 568 (w), 550 (w), 511 (m), 496 (m), 466 (m), 421 (m) cm–1.
DOI: 10.14272/wtdsypafxkuaqt-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C25H26N4/c1-17(2)27-25-24(28-23-16-26-13-14-29(23)25)22-15-20-8-7-18-3-5-19(6-4-18)9-11-21(22)12-10-20/h3-6,10,12-17,27H,7-9,11H2,1-2H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/wtdsypafxkuaqt-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C25H26N4/c1-17(2)27-25-24(28-23-16-26-13-14-29(23)25)22-15-20-8-7-18-3-5-19(6-4-18)9-11-21(22)12-10-20/h3-6,10,12-17,27H,7-9,11H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3) δ [ppm] = 9.12 (d, J = 1.4 Hz, 1H, CHAr), 7.97 (dd, J = 4.6 Hz, J = 1.5 Hz, 1H, CHAr), 7.86 (d, J = 4.6 Hz, 1H, CHAr), 6.99 (d, J = 1.7 Hz, 1H, CHAr), 6.74–6.67 (m, 2H, CHAr), 6.63 (dd, J = 7.8 Hz, J = 1.7 Hz, 1H, CHAr), 6.57 (dd, J = 7.8 Hz, J = 1.7 Hz, 1H, CHAr), 6.56–6.52 (m, 2H, CHAr), 3.28–2.80 (m, 9H, CH2-PCP, CH), 0.95 (d, J = 6.3 Hz, 3H, CH3), 0.71 (d, J = 6.2 Hz, 3H, CH3). Missing Signal (1H, NH) due to H/D exchange.Spectrum contains signals of H-grease and isopropylamine.
DOI: 10.14272/wtdsypafxkuaqt-uhfffaoysa-n.1
title: C25H26N4
title: InChI=1S/C25H26N4/c1-17(2)27-25-24(28-23-16-26-13-14-29(23)25)22-15-20-8-7-18-3-5-19(6-4-18)9-11-21(22)12-10-20/h3-6,10,12-17,27H,7-9,11H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C25H26N4/c1-17(2)27-25-24(28-23-16-26-13-14-29(23)25)22-15-20-8-7-18-3-5-19(6-4-18)9-11-21(22)12-10-20/h3-6,10,12-17,27H,7-9,11H2,1-2H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) fast-atom bombardment mass spectrometry (FABMS) attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) high resolution fast-atom bombardment mass spectrometry (HRFABMS) 1H--1H correlation spectroscopy (1H-1H COSY) 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/wtdsypafxkuaqt-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C25H26N4/c1-17(2)27-25-24(28-23-16-26-13-14-29(23)25)22-15-20-8-7-18-3-5-19(6-4-18)9-11-21(22)12-10-20/h3-6,10,12-17,27H,7-9,11H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3) δ [ppm] = 143.6 (CHAr), 140.4 (CAr), 139.7 (CAr), 139.6 (CAr), 139.2 (CAr), 137.2 (CAr), 137.2 (CAr), 135.3 (CHAr), 133.7 (CHAr), 133.6 (CHAr), 133.5 (CHAr), 132.9 (CAr), 132.7 (CHAr), 132.3 (CAr), 132.1 (CHAr), 128.8 (CHAr), 127.7 (CHAr), 115.6 (CHAr), 49.1 (CH), 35.6(CH2‑PCP), 35.4 (CH2‑PCP), 34.7 (CH2‑PCP), 34.1 (CH2‑PCP), 23.6 (CH3), 23.3 (CH3). Spectrum contains signals of H-grease and isopropylamine.
DOI: 10.14272/wtdsypafxkuaqt-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C25H26N4/c1-17(2)27-25-24(28-23-16-26-13-14-29(23)25)22-15-20-8-7-18-3-5-19(6-4-18)9-11-21(22)12-10-20/h3-6,10,12-17,27H,7-9,11H2,1-2H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3315 (w), 3013 (w), 2966 (s), 2922 (vs), 2850 (m), 1656 (s), 1608 (m), 1530 (vs), 1496 (s), 1485 (m), 1442 (s), 1428 (s), 1412 (s), 1377 (s), 1361 (vs), 1351 (vs), 1339 (vs), 1289 (vs), 1227 (s), 1186 (vs), 1170 (vs), 1149 (vs), 1123 (m), 1013 (w), 933 (s), 902 (s), 867 (m), 815 (m), 789 (vs), 752 (m), 730 (m), 715 (vs), 680 (w), 635 (m), 606 (vs), 588 (m), 511 (vs), 443 (w), 415 (w), 387 (w) cm–1.
DOI: 10.14272/wtdsypafxkuaqt-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C25H26N4/c1-17(2)27-25-24(28-23-16-26-13-14-29(23)25)22-15-20-8-7-18-3-5-19(6-4-18)9-11-21(22)12-10-20/h3-6,10,12-17,27H,7-9,11H2,1-2H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS) FAB‑MS m/z (%): 385 (5), 384 (33), 383 [M + H]+ (100), 382 [M]+ (47), 381 (10), 367 (6), 339 (9), 312 (6), 279 (17), 278 (10), 235 (5), 208 (5), 154 (6).
DOI: 10.14272/wtdsypafxkuaqt-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C25H26N4/c1-17(2)27-25-24(28-23-16-26-13-14-29(23)25)22-15-20-8-7-18-3-5-19(6-4-18)9-11-21(22)12-10-20/h3-6,10,12-17,27H,7-9,11H2,1-2H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/wtdsypafxkuaqt-uhfffaoysa-n/chmo0000726
title: high resolution fast-atom bombardment mass spectrometry (HRFABMS) ()
title: InChI=1S/C25H26N4/c1-17(2)27-25-24(28-23-16-26-13-14-29(23)25)22-15-20-8-7-18-3-5-19(6-4-18)9-11-21(22)12-10-20/h3-6,10,12-17,27H,7-9,11H2,1-2H3

description: dataset for high resolution fast-atom bombardment mass spectrometry (HRFABMS) HRMS‑FAB (m/z): HRMS-FAB (m/z): [M + H]+ calcd. for C25H27N4, 383.2236; found, 382.2237.
DOI: 10.14272/wtdsypafxkuaqt-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C25H26N4/c1-17(2)27-25-24(28-23-16-26-13-14-29(23)25)22-15-20-8-7-18-3-5-19(6-4-18)9-11-21(22)12-10-20/h3-6,10,12-17,27H,7-9,11H2,1-2H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/zljosdahliztqz-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C30H27N3/c1-2-6-25(7-3-1)21-31-30-29(32-28-8-4-5-19-33(28)30)27-20-24-14-13-22-9-11-23(12-10-22)15-17-26(27)18-16-24/h1-12,16,18-20,31H,13-15,17,21H2

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3026 (w), 2921 (w), 2850 (w), 1628 (w), 1540 (w), 1502 (w), 1446 (w), 1435 (w), 1412 (w), 1374 (w), 1346 (s), 1323 (w), 1266 (w), 1234 (w), 1198 (w), 1186 (w), 1171 (w), 1109 (w), 1095 (w), 1027 (w), 901 (w), 867 (w), 809 (w), 795 (w), 773 (w), 755 (vs), 739 (vs), 725 (vs), 701 (vs), 676 (m), 659 (m), 635 (w), 608 (m), 585 (m), 567 (m), 548 (w), 513 (vs), 483 (m), 460 (w), 442 (m), 426 (w), 411 (w), 395 (w), 380 (w) cm–1.
DOI: 10.14272/zljosdahliztqz-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C30H27N3/c1-2-6-25(7-3-1)21-31-30-29(32-28-8-4-5-19-33(28)30)27-20-24-14-13-22-9-11-23(12-10-22)15-17-26(27)18-16-24/h1-12,16,18-20,31H,13-15,17,21H2

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/zljosdahliztqz-uhfffaoysa-n/chmo0000726
title: high resolution fast-atom bombardment mass spectrometry (HRFABMS) ()
title: InChI=1S/C30H27N3/c1-2-6-25(7-3-1)21-31-30-29(32-28-8-4-5-19-33(28)30)27-20-24-14-13-22-9-11-23(12-10-22)15-17-26(27)18-16-24/h1-12,16,18-20,31H,13-15,17,21H2

description: dataset for high resolution fast-atom bombardment mass spectrometry (HRFABMS) HRMS‑FAB (m/z): [M + H]+ calcd. for C30H28N3, 430.2283; found, 430.2285.
DOI: 10.14272/zljosdahliztqz-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C30H27N3/c1-2-6-25(7-3-1)21-31-30-29(32-28-8-4-5-19-33(28)30)27-20-24-14-13-22-9-11-23(12-10-22)15-17-26(27)18-16-24/h1-12,16,18-20,31H,13-15,17,21H2

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/zljosdahliztqz-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C30H27N3/c1-2-6-25(7-3-1)21-31-30-29(32-28-8-4-5-19-33(28)30)27-20-24-14-13-22-9-11-23(12-10-22)15-17-26(27)18-16-24/h1-12,16,18-20,31H,13-15,17,21H2

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/zljosdahliztqz-uhfffaoysa-n.1
title: 2-(1,4(1,4)-dibenzenacyclohexaphane-12-yl)-N-benzylimidazo[1,2-a]pyridin-3-amine
title: InChI=1S/C30H27N3/c1-2-6-25(7-3-1)21-31-30-29(32-28-8-4-5-19-33(28)30)27-20-24-14-13-22-9-11-23(12-10-22)15-17-26(27)18-16-24/h1-12,16,18-20,31H,13-15,17,21H2

description: This dataset contains experimental data from a sample (InChI=1S/C30H27N3/c1-2-6-25(7-3-1)21-31-30-29(32-28-8-4-5-19-33(28)30)27-20-24-14-13-22-9-11-23(12-10-22)15-17-26(27)18-16-24/h1-12,16,18-20,31H,13-15,17,21H2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) fast-atom bombardment mass spectrometry (FABMS) high resolution fast-atom bombardment mass spectrometry (HRFABMS) attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) 1H--1H correlation spectroscopy (1H-1H COSY) 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/zljosdahliztqz-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C30H27N3/c1-2-6-25(7-3-1)21-31-30-29(32-28-8-4-5-19-33(28)30)27-20-24-14-13-22-9-11-23(12-10-22)15-17-26(27)18-16-24/h1-12,16,18-20,31H,13-15,17,21H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3) δ [ppm] = 8.08 (dt, J = 6.8 Hz, J = 1.3 Hz, 1H, CHAr), 7.72 (d, J = 9.0 Hz, 1H, CHAr), 7.25–7.14 (m, 6H, CHAr), 6.99 (d, J = 1.9 Hz, 1H, CHAr), 6.81 (td, J = 6.8 Hz, J = 1.1 Hz, 1H, CHAr), 6.72 (dd, J = 7.9 Hz, J = 1.7 Hz, 1H, CHAr), 6.68 (dd, J = 7.8 Hz, J = 1.8 Hz, 1H, CHAr), 6.63 (dd, J = 7.7 Hz, J = 1.7 Hz, 1H, CHAr), 6.60–6.54 (m, 2H, CHAr), 6.51 (dd, J = 7.8 Hz, J = 1.9 Hz, 1H, CHAr), 3.97–3.86 (m, 2H, CH2-Ph), 3.58 (t, J = 6.5 Hz, 1H, NH), 3.38–3.28 (m, 1H, CH2-PCP), 3.26–2.98 (m, 5H, CH2-PCP), 2.94–2.81 (m, 2H, CH2-PCP).
DOI: 10.14272/zljosdahliztqz-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C30H27N3/c1-2-6-25(7-3-1)21-31-30-29(32-28-8-4-5-19-33(28)30)27-20-24-14-13-22-9-11-23(12-10-22)15-17-26(27)18-16-24/h1-12,16,18-20,31H,13-15,17,21H2

description: dataset for fast-atom bombardment mass spectrometry (FABMS) FAB‑MS m/z (%): 431 (33), 430 [M + H]+ (100), 429 [M]+ (51), 428 (15), 339 (11), 338 (34), 326 (15), 311 (7), 235 (8), 234 (13), 233 (8), 207 (9), 91 (15).
DOI: 10.14272/zljosdahliztqz-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C30H27N3/c1-2-6-25(7-3-1)21-31-30-29(32-28-8-4-5-19-33(28)30)27-20-24-14-13-22-9-11-23(12-10-22)15-17-26(27)18-16-24/h1-12,16,18-20,31H,13-15,17,21H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3) δ [ppm] = 141.5 (CAr), 140.1 (CAr), 139.6 (CAr), 139.5 (CAr), 139.0 (CAr), 137.4 (CAr), 136.9 (CAr), 135.4 (CHAr), 133.5 (CHAr), 133.2 (CHAr), 133.0 (CHAr), 132.7 (CHAr), 132.3 (CHAr), 132.1 (CHAr), 128.6 (2C, CHAr), 128.1 (2C, CHAr), 127.9 (CAr), 127.6 (CHAr), 126.5 (CAr), 123.3 (CHAr), 122.6 (CHAr), 117.8 (CHAr), 111.7 (CHAr), 52.2 (CH2-Ph), 35.5 (CH2-PCP), 35.5 (CH2-PCP), 35.4 (CH2-PCP), 34.3 (CH2-PCP).
DOI: 10.14272/dyplzuujbahqnp-uhfffaoysa-n/chmo0000726
title: high resolution fast-atom bombardment mass spectrometry (HRFABMS) ()
title: InChI=1S/C29H31N3/c1-2-6-25(7-3-1)30-29-28(31-27-8-4-5-19-32(27)29)26-20-23-14-13-21-9-11-22(12-10-21)15-17-24(26)18-16-23/h4-5,8-12,16,18-20,25,30H,1-3,6-7,13-15,17H2

description: dataset for high resolution fast-atom bombardment mass spectrometry (HRFABMS) HRMS‑FAB (m/z): [M + H]+ calcd. for C29H32N3, 422.2596; found, 422.2595.
DOI: 10.14272/dyplzuujbahqnp-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C29H31N3/c1-2-6-25(7-3-1)30-29-28(31-27-8-4-5-19-32(27)29)26-20-23-14-13-21-9-11-22(12-10-21)15-17-24(26)18-16-23/h4-5,8-12,16,18-20,25,30H,1-3,6-7,13-15,17H2

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/dyplzuujbahqnp-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C29H31N3/c1-2-6-25(7-3-1)30-29-28(31-27-8-4-5-19-32(27)29)26-20-23-14-13-21-9-11-22(12-10-21)15-17-24(26)18-16-23/h4-5,8-12,16,18-20,25,30H,1-3,6-7,13-15,17H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3) δ [ppm] = 141.7 (CAr), 140.0 (CAr), 139.6 (CAr), 139.3 (CAr), 136.7 (CAr), 135.7 (CAr), 135.2 (CHAr), 133.9 (CAr), 133.8 (CHAr), 133.1 (CHAr), 133.1 (CHAr), 132.6 (CHAr), 132.5 (CHAr), 131.9 (CHAr), 125.9 (CAr), 122.9 (CHAr), 122.8 (CHAr), 117.7 (CHAr), 111.4 (CHAr), 56.2 (CH), 35.6 (CH2-PCP), 35.5 (CH2-PCP), 35.4 (CH2-PCP), 34.3 (CH2-PCP), 34.1 (CH2), 33.6 (CH2), 25.7 (CH2), 25.0 (CH2), 24.6 (CH2).
DOI: 10.14272/dyplzuujbahqnp-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C29H31N3/c1-2-6-25(7-3-1)30-29-28(31-27-8-4-5-19-32(27)29)26-20-23-14-13-21-9-11-22(12-10-21)15-17-24(26)18-16-23/h4-5,8-12,16,18-20,25,30H,1-3,6-7,13-15,17H2

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/dyplzuujbahqnp-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C29H31N3/c1-2-6-25(7-3-1)30-29-28(31-27-8-4-5-19-32(27)29)26-20-23-14-13-21-9-11-22(12-10-21)15-17-24(26)18-16-23/h4-5,8-12,16,18-20,25,30H,1-3,6-7,13-15,17H2

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/dyplzuujbahqnp-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C29H31N3/c1-2-6-25(7-3-1)30-29-28(31-27-8-4-5-19-32(27)29)26-20-23-14-13-21-9-11-22(12-10-21)15-17-24(26)18-16-23/h4-5,8-12,16,18-20,25,30H,1-3,6-7,13-15,17H2

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3286 (w), 3017 (w), 2922 (vs), 2846 (m), 1744 (vw), 1664 (w), 1633 (w), 1591 (w), 1560 (m), 1536 (m), 1502 (w), 1449 (m), 1412 (w), 1373 (m), 1361 (m), 1349 (w), 1283 (w), 1249 (w), 1232 (m), 1184 (s), 1146 (w), 1129 (w), 932 (w), 899 (w), 863 (w), 812 (w), 793 (w), 748 (vs), 728 (s), 713 (s), 674 (w), 645 (m), 628 (w), 592 (w), 577 (w), 511 (vs), 496 (m), 442 (w), 425 (w), 412 (w) cm–1.
DOI: 10.14272/dyplzuujbahqnp-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C29H31N3/c1-2-6-25(7-3-1)30-29-28(31-27-8-4-5-19-32(27)29)26-20-23-14-13-21-9-11-22(12-10-21)15-17-24(26)18-16-23/h4-5,8-12,16,18-20,25,30H,1-3,6-7,13-15,17H2

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 423 (32), 422 [M + H]+ (100), 421 [M]+ (71), 420 (15), 338 (8), 318 (12), 311 (6), 207 (6).