cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/ytzbfobfiwzwgz-sibvezhusa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C27H30N2O2/c1-19(26(30)24-6-4-3-5-7-24)29(2)27(31)28-25-18-22-13-12-20-8-10-21(11-9-20)14-16-23(25)17-15-22/h3-11,15,17-19,26,30H,12-14,16H2,1-2H3,(H,28,31)/t19-,26-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 157.3 (Cq, CO), 141.1 (Cq, CAr), 140.9 (Cq, CAr), 139.4 (Cq, CAr), 139.2 (Cq, CAr), 137.4 (Cq, CAr), 135.4 (+, CH, CAr), 133.4 (+, CH, CAr), 133.2 (+, CH, CAr), 132.0 (+, CH, CAr), 131.4 (Cq, CAr), 129.5 (+, CH, CAr), 128.5 (+, 2C, CH, CAr), 128.4 (d, +, CH, CAr), 128.1 (+, CH, CAr), 127.1 (+, CH, CAr), 126.8 (+, 2C, CH, CAr), 77.8 (+, CH, CHOH), 58.2 (+, CH, CH3CHN), 35.4 (–, CH2), 35.1 (–, CH2), 34.0 (–, CH2), 33.6 (–, CH2), 31.7 (+, CH3, CONCH3), 14.5 (+, CH3, CH3CHN).The spectrum contains 3% impurities according to 1H NMR.
DOI: 10.14272/ytzbfobfiwzwgz-sibvezhusa-n/chmo0000563.1
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C27H30N2O2/c1-19(26(30)24-6-4-3-5-7-24)29(2)27(31)28-25-18-22-13-12-20-8-10-21(11-9-20)14-16-23(25)17-15-22/h3-11,15,17-19,26,30H,12-14,16H2,1-2H3,(H,28,31)/t19-,26-/m0/s1

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA, %) m/z = 415.3 (100) [M+H]+, 414.4 (62) [M–H]+ , 397.3 (9) [M–OH]+ , 307.2 (26) [M–C7H6OH]+.HRMS (FAB, [M+H]+, C27H31O2N2) calc.: 415.2386; found: 415.2387.
DOI: 10.14272/ytzbfobfiwzwgz-sibvezhusa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C27H30N2O2/c1-19(26(30)24-6-4-3-5-7-24)29(2)27(31)28-25-18-22-13-12-20-8-10-21(11-9-20)14-16-23(25)17-15-22/h3-11,15,17-19,26,30H,12-14,16H2,1-2H3,(H,28,31)/t19-,26-/m0/s1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, cm–1) ṽ = 3352 (w), 3269 (w), 3265 (w), 2922 (w), 2850 (w), 1635 (vs), 1596 (m), 1578 (w), 1530 (s), 1493 (vs), 1453 (m), 1425 (m), 1407 (w), 1380 (m), 1330 (s), 1312 (s), 1273 (m), 1259 (w), 1242 (w), 1169 (m), 1142 (m), 1102 (w), 1078 (w), 1041 (s), 1021 (w), 895 (m), 874 (w), 800 (w), 748 (s), 718 (m), 708 (vs), 684 (w), 656 (s), 568 (vs), 511 (s), 419 (w).
DOI: 10.14272/ytzbfobfiwzwgz-sibvezhusa-n.1
title: C27H30N2O2
title: InChI=1S/C27H30N2O2/c1-19(26(30)24-6-4-3-5-7-24)29(2)27(31)28-25-18-22-13-12-20-8-10-21(11-9-20)14-16-23(25)17-15-22/h3-11,15,17-19,26,30H,12-14,16H2,1-2H3,(H,28,31)/t19-,26-/m0/s1

description: This dataset contains experimental data from a sample (InChI=1S/C27H30N2O2/c1-19(26(30)24-6-4-3-5-7-24)29(2)27(31)28-25-18-22-13-12-20-8-10-21(11-9-20)14-16-23(25)17-15-22/h3-11,15,17-19,26,30H,12-14,16H2,1-2H3,(H,28,31)/t19-,26-/m0/s1). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/sylhuqhutgqndf-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C30H44N4O2/c1-19(2)33(20(3)4)29(35)31-27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)32-30(36)34(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3,(H,31,35)(H,32,36)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 154.4 (2C, Cq, CO), 139.7 (2C, Cq, CAr), 138.3 (2C, Cq, CAr), 134.1 (+, 2C, CH, CAr), 129.2 (2C, Cq, CAr), 126.3 (+, 2C, CH, CAr), 124.2 (+, 2C, CH, CAr), 45.6 (+, 4C, CH, CH(CH3)2), 33.5 (–, 2C, CH2), 32.7 (–, 2C, CH2), 22.0 (+, 4C, CH, CH(CH3)2), 21.6 (+, 4C, CH, CH(CH3)2).The spectrum contains 12% impurities, 1.5% dichloromethane and 0.5% ethyl acetate according to 1H NMR.
DOI: 10.14272/sylhuqhutgqndf-uhfffaoysa-n.2
title: C30H44N4O2
title: InChI=1S/C30H44N4O2/c1-19(2)33(20(3)4)29(35)31-27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)32-30(36)34(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3,(H,31,35)(H,32,36)

description: This dataset contains experimental data from a sample (InChI=1S/C30H44N4O2/c1-19(2)33(20(3)4)29(35)31-27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)32-30(36)34(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3,(H,31,35)(H,32,36)). 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/sylhuqhutgqndf-uhfffaoysa-n/chmo0000563.1
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C30H44N4O2/c1-19(2)33(20(3)4)29(35)31-27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)32-30(36)34(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3,(H,31,35)(H,32,36)

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA, %) m/z = 493 (100) [M+H]+, 492 (96) [M]+, 392 (20) [M–C6H14N]+.HRMS (FAB, [M+H]+, C30H45O2N4) calc.: 493.3543; found: 493.3543.
DOI: 10.14272/sylhuqhutgqndf-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C30H44N4O2/c1-19(2)33(20(3)4)29(35)31-27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)32-30(36)34(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3,(H,31,35)(H,32,36)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 6.69 (d, J = 1.8 Hz, 2H, HAr), 6.55 (dd, J = 7.8, 1.8 Hz, 2H, HAr), 6.46 (d, J = 7.7 Hz, 2H, HAr), 6.06 (s, 2H, NH), 4.04 (hept, J = 6.9 Hz, 4H, CH(CH3)2), 3.21–3.12 (m, 2H, HPc), 3.12–3.01 (m, 2H, HPc), 2.95–2.79 (m, 4H, HPc), 1.40 (d, J = 6.9 Hz, 12H, CH(CH3)2), 1.36 (d, J = 6.8 Hz, 12H, CH(CH3)2).The spectrum contains 12% impurities, 1.5% dichloromethane and 0.5% ethyl acetate.
DOI: 10.14272/sylhuqhutgqndf-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C30H44N4O2/c1-19(2)33(20(3)4)29(35)31-27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)32-30(36)34(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3,(H,31,35)(H,32,36)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, cm-1) ṽ = 3330 (vw), 2963 (w), 2929 (w), 2867 (w), 2268 (w), 1630 (vs), 1596 (m), 1568 (w), 1514 (m), 1476 (vs), 1453 (s), 1424 (m), 1390 (w), 1370 (m), 1324 (vs), 1310 (vs), 1258 (vs), 1210 (m), 1143 (vs), 1095 (w), 1054 (m), 1035 (w), 898 (w), 882 (m), 779 (w), 755 (m), 731 (w), 721 (m), 697 (w), 664 (m), 630 (w), 606 (s), 562 (w), 538 (w), 507 (s), 483 (m), 401 (m).
DOI: 10.14272/sylhuqhutgqndf-uhfffaoysa-n.1
title: C30H44N4O2
title: InChI=1S/C30H44N4O2/c1-19(2)33(20(3)4)29(35)31-27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)32-30(36)34(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3,(H,31,35)(H,32,36)

description: This dataset contains experimental data from a sample (InChI=1S/C30H44N4O2/c1-19(2)33(20(3)4)29(35)31-27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)32-30(36)34(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3,(H,31,35)(H,32,36)). 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) fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/sylhuqhutgqndf-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C30H44N4O2/c1-19(2)33(20(3)4)29(35)31-27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)32-30(36)34(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3,(H,31,35)(H,32,36)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 154.6 (2C, Cq, CO), 140.3 (2C, Cq, CAr), 138.0 (2C, Cq, CAr), 135.3 (+, 2C, CH, CAr), 131.9 (2C, Cq, CAr), 128.1 (+, 2C, CH, CAr), 123.4 (+, 2C, CH, CAr), 46.2 (+, 4C, CH, CH(CH3)2), 33.9 (–, 2C, CH2), 33.5 ( –, 2C, CH2), 21.9 (+, 4C, CH, CH(CH3)2), 21.2 (+, 4C, CH, CH(CH3)2).The spectrum contains diisopropylamine (47.4 and 19.2 ppm).
DOI: 10.14272/sylhuqhutgqndf-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C30H44N4O2/c1-19(2)33(20(3)4)29(35)31-27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)32-30(36)34(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3,(H,31,35)(H,32,36)

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA, %) m/z = 493 (100) [M+H]+, 492 (70) [M]+, 392 (84) [M–C6H14N]+. HRMS (FAB, [M+H]+, C30H45O2N4) Calcd 493.3543; Found 493.3541.
DOI: 10.14272/sylhuqhutgqndf-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C30H44N4O2/c1-19(2)33(20(3)4)29(35)31-27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)32-30(36)34(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3,(H,31,35)(H,32,36)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ, cm–1) = 3269 (w), 2962 (m), 2925 (w), 2856 (w), 1626 (vs), 1596 (w), 1567 (w), 1520 (vs), 1487 (s), 1452 (m), 1432 (w), 1415 (s), 1397 (w), 1371 (m), 1366 (m), 1357 (w), 1316 (vs), 1281 (m), 1265 (m), 1251 (m), 1211 (w), 1143 (s), 1106 (w), 1094 (w), 1054 (w), 942 (vw), 894 (w), 877 (w), 758 (w), 722 (w), 662 (m), 626 (w), 608 (s), 534 (w), 517 (w), 500 (m), 456 (w).
DOI: 10.14272/sylhuqhutgqndf-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C30H44N4O2/c1-19(2)33(20(3)4)29(35)31-27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)32-30(36)34(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3,(H,31,35)(H,32,36)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.20 (br s, 2H, NH), 6.74 (s, 2H, HAr), 6.48 (d, J = 7.8 Hz, 2H, HAr), 6.31 (dd, J = 7.8, 1.8 Hz, 2H, HAr), 3.99 (hept, J = 6.8 Hz, 4H, CH(CH3)2), 3.26 (dd, J = 13.6, 9.3 Hz, 2H, HPc), 3.13–3.02 (m, 2H, HPc), 2.92–2.79 (m, 2H, HPc), 2.79–2.66 (m, 2H, HPc), 1.43 (d, J = 6.7 Hz, 12H, CH(CH3)2), 1.37 (d, J = 6.8 Hz, 12H, CH(CH3)2).
DOI: 10.14272/kscrqnqapbadds-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C29H26N2O/c32-29(31(26-7-3-1-4-8-26)27-9-5-2-6-10-27)30-28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24/h1-14,18,20-21H,15-17,19H2,(H,30,32)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) ṽ (cm–1) = 3420 (w), 2927 (vw), 2850 (vw), 1686 (s), 1588 (m), 1502 (m), 1469 (s), 1449 (s), 1401 (m), 1317 (w), 1293 (w), 1271 (vw), 1239 (vw), 1196 (vw), 1173 (vw), 1149 (vw), 1074 (w), 1026 (w), 898 (w), 887 (w), 870 (vw), 806 (vw), 761 (vw), 742 (vw), 717 (w), 697 (w), 671 (w), 653 (w), 646 (w), 578 (w), 506 (w), 436 (vw).
DOI: 10.14272/kscrqnqapbadds-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C29H26N2O/c32-29(31(26-7-3-1-4-8-26)27-9-5-2-6-10-27)30-28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24/h1-14,18,20-21H,15-17,19H2,(H,30,32)

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA, %), m/z = 419 (100) [M+H]+, 418 (70) [M]+, 314 89 [M–C8H8]+.HRMS (FAB, [M+H]+, C29H27ON2) calc.: 419.2123; found: 419.2125.
DOI: 10.14272/kscrqnqapbadds-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C29H26N2O/c32-29(31(26-7-3-1-4-8-26)27-9-5-2-6-10-27)30-28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24/h1-14,18,20-21H,15-17,19H2,(H,30,32)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.52–7.45 (m, 8H, HAr), 7.36–7.32 (m, 2H, HAr), 7.02 (s, 1H, HAr), 6.75–6.69 (m, 1H, HAr), 6.57–6.49 (m, 2H, HAr), 6.37–6.32 (m, 3H, HAr), 6.30 (br s, 1H, NH), 3.14–2.90 (m, 5H, HPc), 2.69–2.50 (m, 3H, HPc).
DOI: 10.14272/kscrqnqapbadds-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C29H26N2O/c32-29(31(26-7-3-1-4-8-26)27-9-5-2-6-10-27)30-28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24/h1-14,18,20-21H,15-17,19H2,(H,30,32)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 153.1 (Cq, CO), 142.4 (2C, Cq, CAr), 141.5 (Cq, CAr), 139.7 (Cq, CAr), 138.4 (Cq, CAr), 137.7 (Cq, CAr), 134.8 (+, CH, CAr), 133.2 (+, 2C, CH, CAr), 132.5 (+, CH, CAr), 129.8 (+, 4C, CH, CAr), 128.2 (+, CH, CAr), 127.9 (Cq, CAr), 127.7 (+, 4C, CH, CAr), 127.5 (+, CH, CAr), 127.0 (+, 2C, CH, CAr), 125.4 (+, CH, CAr), 35.4 (–, CH2), 35.2 (–, CH2), 33.8 (–, CH2), 32.7 (–, CH2).
DOI: 10.14272/kscrqnqapbadds-uhfffaoysa-n.1
title: C29H26N2O
title: InChI=1S/C29H26N2O/c32-29(31(26-7-3-1-4-8-26)27-9-5-2-6-10-27)30-28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24/h1-14,18,20-21H,15-17,19H2,(H,30,32)

description: This dataset contains experimental data from a sample (InChI=1S/C29H26N2O/c32-29(31(26-7-3-1-4-8-26)27-9-5-2-6-10-27)30-28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24/h1-14,18,20-21H,15-17,19H2,(H,30,32)). 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/xhwaeflrequank-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C29H38N2O/c32-29(31(26-7-3-1-4-8-26)27-9-5-2-6-10-27)30-28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24/h11-14,18,20-21,26-27H,1-10,15-17,19H2,(H,30,32)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ, cm–1) = 3466 (w), 2925 (vs), 2847 (s), 1662 (vs), 1596 (w), 1567 (m), 1519 (vs), 1500 (m), 1472 (w), 1448 (s), 1419 (vs), 1354 (m), 1343 (s), 1319 (m), 1293 (vs), 1265 (m), 1231 (vs), 1181 (s), 1140 (vs), 1123 (s), 1072 (w), 1004 (m), 992 (w), 892 (s), 875 (m), 805 (w), 793 (m), 747 (s), 717 (s), 707 (m), 662 (s), 643 (m), 588 (w), 562 (m), 514 (s), 487 (s), 449 (vs).
DOI: 10.14272/xhwaeflrequank-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C29H38N2O/c32-29(31(26-7-3-1-4-8-26)27-9-5-2-6-10-27)30-28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24/h11-14,18,20-21,26-27H,1-10,15-17,19H2,(H,30,32)

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA, %) m/z = 431 (100) [M+H]+, 430 (72) [M]+. HRMS (FAB, [M+H]+, C29H39ON2) Calcd 431.3062; Found 431.3063.
DOI: 10.14272/xhwaeflrequank-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C29H38N2O/c32-29(31(26-7-3-1-4-8-26)27-9-5-2-6-10-27)30-28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24/h11-14,18,20-21,26-27H,1-10,15-17,19H2,(H,30,32)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 6.84–6.77 (m, 2H, HAr), 6.59–6.52 (m, 2H, HAr), 6.44–6.37 (m, 2H, HAr), 6.32 (dd, J = 7.8, 1.7 Hz, 1H, HAr), 6.12 (s, 1H, NH), 3.61–3.51 (m, 2H, CHN), 3.21–3.12 (m, 2H, HPc), 3.11–2.91 (m, 5H, HPc), 2.82 (m, 1H, HPc), 1.95–1.82 (m, 14H, CH2), 1.82–1.68 (m, 4H, CH2), 1.48–1.33 (m, 2H, CH2).
DOI: 10.14272/xhwaeflrequank-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C29H38N2O/c32-29(31(26-7-3-1-4-8-26)27-9-5-2-6-10-27)30-28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24/h11-14,18,20-21,26-27H,1-10,15-17,19H2,(H,30,32)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 154.7 (Cq., CO), 141.3 (Cq., CAr), 139.7 (Cq., CAr), 138.6 (Cq., CAr), 138.6 (Cq., CAr), 135.0 (+, CH, CAr), 133.2 (+, CH, CAr), 133.2 (+, CH, CAr), 132.4 (+, CH, CAr), 128.4 (+, CH, CAr), 128.2 (Cq, CAr), 127.0 (+, CH, CAr), 126.0 (+, CH, CAr), 55.70 (2C, +, CH, CHN), 35.4 (–, CH2), 35.2 (–, CH2), 34.0 (–, CH2), 33.5 (–, CH2), 32.5 (2C, –, CH2), 31.9 (2C, –, CH2), 26.7 (2C, –, CH2), 26.6 (2C, –, CH2), 25.8 (2C, –, CH2).
DOI: 10.14272/xhwaeflrequank-uhfffaoysa-n.1
title: C29H38N2O
title: InChI=1S/C29H38N2O/c32-29(31(26-7-3-1-4-8-26)27-9-5-2-6-10-27)30-28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24/h11-14,18,20-21,26-27H,1-10,15-17,19H2,(H,30,32)

description: This dataset contains experimental data from a sample (InChI=1S/C29H38N2O/c32-29(31(26-7-3-1-4-8-26)27-9-5-2-6-10-27)30-28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24/h11-14,18,20-21,26-27H,1-10,15-17,19H2,(H,30,32)). 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/kangaxorboieah-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C23H30N2O/c1-16(2)25(17(3)4)23(26)24-22-15-20-10-9-18-5-7-19(8-6-18)11-13-21(22)14-12-20/h5-8,12,14-17H,9-11,13H2,1-4H3,(H,24,26)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 154.5 (Cq, CO), 141.0 (Cq, CAr), 139.6 (Cq, CAr), 138.8 (Cq, CAr), 138.2 (Cq, CAr), 135.1 (+, CH, CAr), 133.2 (+, CH, CAr), 133.2 (+, CH, CAr), 132.3 (+, CH, CAr), 129.3 (Cq, CAr), 128.4 (+, CH, CAr), 127.4 (+, CH, CAr), 126.4 (+, CH, CAr), 45.6 (+, 2C, CH, CH(CH3)2), 35.4 (–, CH2), 35.2 (–, CH2), 34.1 (–, CH2), 33.5 (–, CH2), 22.0 (+, 2C, CH, CH(CH3)2), 21.6 (+, 2C, CH, CH(CH3)2).The spectrum contains 5% diisopropylamine according to 1H NMR.
DOI: 10.14272/kangaxorboieah-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C23H30N2O/c1-16(2)25(17(3)4)23(26)24-22-15-20-10-9-18-5-7-19(8-6-18)11-13-21(22)14-12-20/h5-8,12,14-17H,9-11,13H2,1-4H3,(H,24,26)

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA, %), m/z = 351 (100) [M+H]+, 350 (86) [M]+. HRMS (FAB, [M+H]+, C23H31ON2) Calcd 351.2436; Found 351.2437.
DOI: 10.14272/kangaxorboieah-uhfffaoysa-n.1
title: C23H30N2O
title: InChI=1S/C23H30N2O/c1-16(2)25(17(3)4)23(26)24-22-15-20-10-9-18-5-7-19(8-6-18)11-13-21(22)14-12-20/h5-8,12,14-17H,9-11,13H2,1-4H3,(H,24,26)

description: This dataset contains experimental data from a sample (InChI=1S/C23H30N2O/c1-16(2)25(17(3)4)23(26)24-22-15-20-10-9-18-5-7-19(8-6-18)11-13-21(22)14-12-20/h5-8,12,14-17H,9-11,13H2,1-4H3,(H,24,26)). 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) fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/kangaxorboieah-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C23H30N2O/c1-16(2)25(17(3)4)23(26)24-22-15-20-10-9-18-5-7-19(8-6-18)11-13-21(22)14-12-20/h5-8,12,14-17H,9-11,13H2,1-4H3,(H,24,26)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 6.85–6.77 (m, 1H, HAr), 6.69 (d, J = 1.8 Hz, 1H, HAr), 6.60–6.52 (m, 2H, HAr), 6.47–6.39 (m, 2H, HAr), 6.33 (dd, J = 7.8, 1.8 Hz, 1H, HAr), 6.03 (br s, 1H, NH), 4.06 (p, J = 6.9 Hz, 2H, CH(CH3)2), 3.26–3.09 (m, 2H, HPc), 3.09–2.91 (m, 5H, HPc), 2.88–2.77 (m, 1H, HPc), 1.41 (d, J = 6.9 Hz, 6H, CH(CH3)2), 1.37 (d, J = 6.9 Hz, 6H, CH(CH3)2).The spectrum contains 5% diisopropylamine.
DOI: 10.14272/kangaxorboieah-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C23H30N2O/c1-16(2)25(17(3)4)23(26)24-22-15-20-10-9-18-5-7-19(8-6-18)11-13-21(22)14-12-20/h5-8,12,14-17H,9-11,13H2,1-4H3,(H,24,26)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3479 (vw), 3330 (vw), 2962 (m), 2925 (s), 2893 (w), 2851 (w), 2272 (vw), 1638 (vs), 1596 (w), 1568 (m), 1519 (vs), 1502 (m), 1477 (vs), 1452 (vs), 1436 (s), 1421 (vs), 1390 (w), 1370 (m), 1312 (vs), 1290 (vs), 1259 (s), 1207 (s), 1145 (vs), 1113 (w), 1052 (m), 898 (w), 880 (w), 796 (w), 752 (m), 717 (vs), 654 (m), 608 (w), 513 (s) cm–1.
DOI: 10.5281/zenodo.5833263
title: Audio Caption Dataset (Hospital & Car)

description: This dataset consists of the Hospital scene of our Audio Caption dataset. Details can be seen in our paper Audio Caption: Listen and Tell published at ICASSP2019. Car scene, detailed in Audio Caption in a Car Setting with a Sentence-Level Loss published at ISCSLP 2021. Original captions in Mandarin Chinese, with English translations provided.
DOI: 10.5281/zenodo.3715276
title: Audio Caption Dataset (Hospital & Car)

description: This dataset consists of the Hospital scene of our Audio Caption dataset. Details can be seen in our paper Audio Caption: Listen and Tell published at ICASSP2019. Car scene, detailed in Audio Caption in a Car Setting with a Sentence-Level Loss published at ISCSLP 2021. Original captions in Mandarin Chinese, with English translations provided.
DOI: 10.6084/m9.figshare.16837180
title: Dfluo_200114b

description: Raw data : single emission fluorescence spectraInstrument : LIF spectrofluorimeter (conception: EDYTEM laboratory)Settings : excitation 266 nm, grating 300 lines, central wavelength 620 nm, entrance slit width 0.25 mmSamples : µ-SECA-03, µ-SECA-04, µ-SECA-05 (Points cave, France)Software : Matlab<br>+ 1 file : wavelengths <i>wl.txt</i><br>+ 1 file : instrument correction <i>qeccd.txt</i><br>
DOI: 10.6084/m9.figshare.17104367
title: Supplementary Material for: History of suicide attempts and COVID-19 infection in Veterans with schizophrenia or schizoaffective disorder: moderating effects of age and body mass index

description: Introduction: Relative to the general population, patients with schizophrenia or schizoaffective disorder have higher rates of suicide attempts and mortality from COVID-19 infection. Therefore, determining whether a history of suicide attempt is associated with COVID-19 in patients with schizophrenia or schizoaffective disorder has implications for COVID-19 vulnerability stratification in this patient population. Methods: We carried out cross-sectional analyses of electronic health records (EHR) of veterans with a diagnosis of schizophrenia or schizoaffective disorder that received treatment at any United States Veterans Affairs Medical Center between January 1, 2020 to January 31, 2021. We used logistic regression to estimate unadjusted and adjusted (including age, sex, race, marital status, body mass index (BMI), and a medical comorbidity score) odds ratios (ORs) for COVID-19 positivity in suicide attempters relative to non-attempters. Results: A total of 101,032 Veterans [mean age 56.67 ± 13.13 years; males 91,715 (90.8%)] were included in the analyses. There were 2,703 (2.7%) suicide attempters and 719 (0.7%) patients were positive for COVID-19. The association between history of suicide attempt and COVID-19 positivity was modified by age and BMI, such that the relationship was only significant in patients younger than 59 years, and in obese (BMI ≥ 30) patients (adjusted OR 3.42, 95% CI 2.02 - 5.79 and OR 2.85, 95% CI 1.65 - 4.94, respectively). Conclusions: Higher rates of COVID-19 in young or obese suicide attempters with a diagnosis of schizophrenia or schizoaffective disorder might be due to elevated risk for the infection in this sub-group of patients.
DOI: 10.5519/qd.fzhmfgt7
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (15 records)
DOI: 10.5281/zenodo.819739
title: Paths to equilibrium in non-conformal collisions

description: Non-conformal planar shockwave collisions with the typical dataset from the study <strong>arXiv:1703.09681 </strong>published in JHEP.
DOI: 10.5281/zenodo.819738
title: Paths to equilibrium in non-conformal collisions

description: Non-conformal planar shockwave collisions with the typical dataset from the study <strong>arXiv:1703.09681 </strong>published in JHEP.