cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/dyplzuujbahqnp-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H 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 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3) δ [ppm] = 8.07 (dt, J = 6.9 Hz, J = 1.3 Hz, 1H, CHAr), 7.70 (d, J = 9.1 Hz, 1H, CHAr), 7.14 (ddd, J = 9.0 Hz, J = 6.7 Hz, J = 1.3 Hz, 1H, CHAr), 7.06 (d, J = 1.9 Hz, 1H, CHAr), 6.83–6.76 (m, 2H, CHAr), 6.69 (dd, J = 7.8 Hz, J = 1.9 Hz, 1H, CHAr), 6.63 (dd, J = 7.8 Hz, J = 1.9 Hz, 1H, CHAr), 6.57 (dd, J = 7.8 Hz, J = 1.9 Hz, 1H, CHAr), 6.53 (d, J = 7.9 Hz, 1H, CHAr), 6.48 (dd, J = 7.8 Hz, J = 1.9 Hz, 1H, CHAr), 3.30–2.96 (m, 7H, CH2-PCP + NH), 2.92–2.79 (m, 2H, CH2-PCP), 2.65–2.53 (m, 1H, CH), 1.80–1.70 (m, 1H, CH2), 1.66–1.52 (m, 1H, CH2), 1.45–1.28 (m, 3H, CH2), 1.16–0.82 (m, 4H, CH2), 0.71–0.58 (m, 1H, CH2).
DOI: 10.14272/dyplzuujbahqnp-uhfffaoysa-n.1
title: 2-(1,4(1,4)-dibenzenacyclohexaphane-12-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine
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: This dataset contains experimental data from a sample (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). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) fast-atom bombardment mass spectrometry (FABMS) 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/mynwxobdahayhj-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C27H29N3/c1-27(2,3)29-26-25(28-24-6-4-5-17-30(24)26)23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,29H,11-13,15H2,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3) δ [ppm] = 8.27 (d, J = 6.9 Hz, 1H, CHAr), 7.68 (d, J = 9.1 Hz, 1H, CHAr), 7.15 (ddd, J = 9.1, 6.6, 1.3 Hz, 1H, CHAr), 7.04 (d, J = 1.8 Hz, 1H, CHAr), 6.80–6.75 (m, 2H, CHAr), 6.73 (dd, J = 7.8, 1.8 Hz, 1H, CHAr), 6.62 (dd, J = 7.8, 1.8 Hz, 1H, CHAr), 6.57 (dd, J = 7.8 Hz, J = 1.9 Hz, 1H, CHAr), 6.50 (d, J = 7.8 Hz, 1H, CHAr), 6.47 (dd, J = 7.8 Hz, J = 1.9 Hz, 1H, CHAr), 3.27-2.84 (m, 8H, CH2-PCP), 0.77 (s, 9H, CH3).Missing Signal (1H, NH) due to H/D exchange.
DOI: 10.14272/mynwxobdahayhj-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C27H29N3/c1-27(2,3)29-26-25(28-24-6-4-5-17-30(24)26)23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,29H,11-13,15H2,1-3H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 397 (28), 396 [M + H]+ (100), 395 [M]+ (70), 340 (10), 339 (25), 338 (25), 292 (13), 235 (10), 234 (9).
DOI: 10.14272/mynwxobdahayhj-uhfffaoysa-n/chmo0000726
title: high resolution fast-atom bombardment mass spectrometry (HRFABMS) ()
title: InChI=1S/C27H29N3/c1-27(2,3)29-26-25(28-24-6-4-5-17-30(24)26)23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,29H,11-13,15H2,1-3H3

description: dataset for high resolution fast-atom bombardment mass spectrometry (HRFABMS) HRMS‑FAB (m/z): [M + H]+ calcd. for C27H30N3, 396.2440; found, 396.2440.
DOI: 10.14272/mynwxobdahayhj-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C27H29N3/c1-27(2,3)29-26-25(28-24-6-4-5-17-30(24)26)23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,29H,11-13,15H2,1-3H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/mynwxobdahayhj-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C27H29N3/c1-27(2,3)29-26-25(28-24-6-4-5-17-30(24)26)23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,29H,11-13,15H2,1-3H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/mynwxobdahayhj-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C27H29N3/c1-27(2,3)29-26-25(28-24-6-4-5-17-30(24)26)23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,29H,11-13,15H2,1-3H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/mynwxobdahayhj-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C27H29N3/c1-27(2,3)29-26-25(28-24-6-4-5-17-30(24)26)23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,29H,11-13,15H2,1-3H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3353 (vw), 2952 (w), 2925 (m), 2888 (w), 2850 (w), 1629 (w), 1594 (w), 1541 (w), 1500 (m), 1445 (w), 1412 (w), 1374 (w), 1363 (m), 1340 (vs), 1271 (w), 1217 (s), 1200 (s), 1111 (w), 1094 (w), 936 (w), 901 (m), 863 (w), 806 (m), 799 (m), 756 (vs), 737 (vs), 720 (s), 711 (s), 687 (w), 674 (m), 666 (s), 632 (m), 606 (m), 585 (m), 547 (m), 511 (vs), 501 (m), 475 (w), 460 (w), 449 (m), 428 (m), 418 (m), 384 (w) cm–1.
DOI: 10.14272/mynwxobdahayhj-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C27H29N3/c1-27(2,3)29-26-25(28-24-6-4-5-17-30(24)26)23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,29H,11-13,15H2,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3) δ [ppm] = 142.5 (CAr), 140.1 (CAr), 139.6 (CAr), 139.3 (CAr), 136.9 (CAr), 135.0 (CHAr), 134.7 (CAr), 134.0 (CHAr), 133.3 (CAr), 133.2 (CHAr), 132.8 (CHAr), 132.5 (CHAr), 131.8 (CHAr), 124.4 (CHAr), 123.8 (CHAr), 123.3 (CHAr), 121.0 (CAr), 117.6 (CHAr), 111.0 (CHAr), 56.4 (C(CH3)3), 35.6 (CH2-PCP), 35.6 (CH2-PCP), 35.4 (CH2-PCP), 33.9 (CH2-PCP), 29.9 (3C, CH3).
DOI: 10.14272/mynwxobdahayhj-uhfffaoysa-n.1
title: 2-(1,4(1,4)-dibenzenacyclohexaphane-12-yl)-N-(tert-butyl)imidazo[1,2-a]pyridin-3-amine
title: InChI=1S/C27H29N3/c1-27(2,3)29-26-25(28-24-6-4-5-17-30(24)26)23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,29H,11-13,15H2,1-3H3

description: This dataset contains experimental data from a sample (InChI=1S/C27H29N3/c1-27(2,3)29-26-25(28-24-6-4-5-17-30(24)26)23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,29H,11-13,15H2,1-3H3). 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) 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) attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/prdmjfqhgrslac-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)31-30-29(32-28-4-2-3-19-33(28)30)27-20-23-10-9-21-5-7-22(8-6-21)11-13-24(27)14-12-23/h2-8,12,14-20,31H,9-11,13H2,1H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 2922 (w), 2890 (w), 2849 (w), 1629 (vw), 1594 (vw), 1565 (w), 1506 (vs), 1462 (w), 1451 (w), 1441 (w), 1411 (w), 1370 (w), 1346 (m), 1283 (w), 1231 (vs), 1177 (m), 1109 (w), 1033 (s), 1007 (w), 901 (w), 868 (w), 822 (s), 803 (m), 754 (s), 734 (vs), 714 (s), 677 (w), 656 (w), 637 (m), 609 (w), 592 (w), 571 (m), 545 (w), 513 (vs), 493 (m), 460 (w), 441 (m), 424 (m), 408 (w), 392 (w), 384 (w) cm–1.
DOI: 10.14272/prdmjfqhgrslac-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)31-30-29(32-28-4-2-3-19-33(28)30)27-20-23-10-9-21-5-7-22(8-6-21)11-13-24(27)14-12-23/h2-8,12,14-20,31H,9-11,13H2,1H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/prdmjfqhgrslac-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)31-30-29(32-28-4-2-3-19-33(28)30)27-20-23-10-9-21-5-7-22(8-6-21)11-13-24(27)14-12-23/h2-8,12,14-20,31H,9-11,13H2,1H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 447 (32), 446 [M + H]+ (100), 445 [M]+ (93), 444 (25), 342 (18), 341 (10), 311 (13), 219 (9), 208 (13), 207 (14), 154 (13), 136 (9).
DOI: 10.14272/prdmjfqhgrslac-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)31-30-29(32-28-4-2-3-19-33(28)30)27-20-23-10-9-21-5-7-22(8-6-21)11-13-24(27)14-12-23/h2-8,12,14-20,31H,9-11,13H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3) δ [ppm] = 153.6 (CAr), 142.5 (CAr), 139.9 (CAr), 139.6 (CAr), 139.5 (CAr), 139.1 (CAr), 138.6 (CAr), 137.9 (CAr), 135.7 (CHAr), 133.4 (CAr), 133.1 (CHAr), 133.0 (CHAr), 133.0 (CHAr), 132.76 (CHAr), 132.4 (CHAr), 131.8 (CHAr), 124.1 (CHAr), 123.4 (CHAr), 120.0 (CAr), 118.0 (CHAr), 115.3 (2C, CHAr), 115.0 (2C, CHAr), 111.9 (CHAr), 55.8 (OCH3), 35.6 (CH2-PCP), 35.4 (CH2-PCP), 35.4 (CH2-PCP), 34.7 (CH2-PCP).
DOI: 10.14272/prdmjfqhgrslac-uhfffaoysa-n/chmo0000726
title: high resolution fast-atom bombardment mass spectrometry (HRFABMS) ()
title: InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)31-30-29(32-28-4-2-3-19-33(28)30)27-20-23-10-9-21-5-7-22(8-6-21)11-13-24(27)14-12-23/h2-8,12,14-20,31H,9-11,13H2,1H3

description: dataset for high resolution fast-atom bombardment mass spectrometry (HRFABMS) HRMS‑FAB (m/z): [M + H]+ calcd. for C30H27N3O, 446.2232; found, 446.2234.
DOI: 10.14272/prdmjfqhgrslac-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)31-30-29(32-28-4-2-3-19-33(28)30)27-20-23-10-9-21-5-7-22(8-6-21)11-13-24(27)14-12-23/h2-8,12,14-20,31H,9-11,13H2,1H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/prdmjfqhgrslac-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)31-30-29(32-28-4-2-3-19-33(28)30)27-20-23-10-9-21-5-7-22(8-6-21)11-13-24(27)14-12-23/h2-8,12,14-20,31H,9-11,13H2,1H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/prdmjfqhgrslac-uhfffaoysa-n.1
title: 2-(1,4(1,4)-Dibenzenacyclohexaphane-12-yl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
title: InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)31-30-29(32-28-4-2-3-19-33(28)30)27-20-23-10-9-21-5-7-22(8-6-21)11-13-24(27)14-12-23/h2-8,12,14-20,31H,9-11,13H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)31-30-29(32-28-4-2-3-19-33(28)30)27-20-23-10-9-21-5-7-22(8-6-21)11-13-24(27)14-12-23/h2-8,12,14-20,31H,9-11,13H2,1H3). 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/prdmjfqhgrslac-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)31-30-29(32-28-4-2-3-19-33(28)30)27-20-23-10-9-21-5-7-22(8-6-21)11-13-24(27)14-12-23/h2-8,12,14-20,31H,9-11,13H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3) δ [ppm] = 7.78–7.71 (m, 2H, CHAr), 7.23 (ddd, J = 9.0 Hz, J = 6.7 Hz, J = 1.4 Hz, 1H, CHAr), 6.95 (d, J = 1.9 Hz, 1H, CHAr), 6.81–6.75 (m, 3H, CHAr), 6.61–6.58 (m, 3H, CHAr), 6.57–6.53 (m, 1H, CHAr), 6.52–6.48 (m, 2H, CHAr), 6.47 (d, J = 2.3 Hz, 1H, CHAr), 6.44 (dd, J = 7.8 Hz, J = 1.9 Hz, 1H, CHAr), 5.52 (s, 1H, NH), 3.75 (s, 3H, OCH3), 3.63–3.53 (m, 1H, CH2-PCP), 3.21–2.77 (m, 7H, CH2-PCP).
DOI: 10.14272/mrxczhlkrnmfel-uhfffaoysa-n.1
title: 1,4(1,4)-dibenzenacyclohexaphane-12,43-dicarbaldehyde
title: InChI=1S/C18H16O2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-12H,3-4,7-8H2

description: This dataset contains experimental data from a sample (tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-dicarbaldehyde, InChI=1S/C18H16O2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-12H,3-4,7-8H2). 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/mrxczhlkrnmfel-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-dicarbaldehyde)
title: InChI=1S/C18H16O2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-12H,3-4,7-8H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3) δ [ppm] = 192.1 (2C, CHO), 143.1 (2C, CAr), 140.7 (2C, CAr), 137.1 (2C, CHAr), 136.9 (2C, CAr), 136.7 (2C, CHAr), 135.4 (2C, CHAr), 34.5 (2C, CH2), 33.0 (2C, CH2).
DOI: 10.14272/mrxczhlkrnmfel-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-dicarbaldehyde)
title: InChI=1S/C18H16O2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-12H,3-4,7-8H2

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/mrxczhlkrnmfel-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) (tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-dicarbaldehyde)
title: InChI=1S/C18H16O2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-12H,3-4,7-8H2

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/mrxczhlkrnmfel-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) (tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-dicarbaldehyde)
title: InChI=1S/C18H16O2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-12H,3-4,7-8H2

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 265 [M + H]+ (29), 155 (39), 154 (100), 139 (30), 138 (43), 137 (68), 136 (81), 131 (34), 119 (28), 109 (45), 107 (42), 105 (43), 97 (44), 95 (68), 93 (30), 91 (54).
DOI: 10.14272/mrxczhlkrnmfel-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-dicarbaldehyde)
title: InChI=1S/C18H16O2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-12H,3-4,7-8H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3) δ [ppm] = 9.94 (s, 2H), 7.05 (d, J = 2.0 Hz, 2H), 6.63 (dd, J = 7.8 Hz, J = 2.1 Hz, 2H), 6.52 (d, J = 7.8 Hz, 2H), 4.13 (ddd, J = 13.1 Hz, J = 10.5 Hz, J = 2.4 Hz, 2H), 3.29 (ddd, J = 13.2 Hz, J = 10.6 Hz, J = 2.4 Hz, 2H), 3.16 (ddd, J = 13.4 Hz, J = 10.5 Hz, J = 5.9 Hz, 2H), 3.01 (ddd, J = 13.3 Hz, J = 10.7 Hz, J = 5.8 Hz, 2H).
DOI: 10.14272/mrxczhlkrnmfel-uhfffaoysa-n/chmo0000726
title: high resolution fast-atom bombardment mass spectrometry (HRFABMS) (tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-dicarbaldehyde)
title: InChI=1S/C18H16O2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-12H,3-4,7-8H2

description: dataset for high resolution fast-atom bombardment mass spectrometry (HRFABMS) HRMS‑FAB (m/z): [M + H]+ calcd. for C18H17O2, 265.1223; found, 265.1221.
DOI: 10.14272/mrxczhlkrnmfel-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) (tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-dicarbaldehyde)
title: InChI=1S/C18H16O2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-12H,3-4,7-8H2

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 2925 (w), 2854 (w), 2826 (w), 2748 (w), 1670 (vs), 1587 (s), 1550 (m), 1485 (w), 1451 (w), 1436 (w), 1411 (w), 1394 (w), 1281 (w), 1248 (w), 1224 (s), 1200 (m), 1181 (m), 1163 (w), 1137 (s), 1086 (w), 970 (w), 945 (m), 901 (m), 880 (m), 863 (m), 789 (m), 747 (m), 721 (s), 698 (w), 649 (vs), 616 (s), 526 (m), 497 (w), 486 (w), 448 (m), 388 (w) cm–1.
DOI: 10.14272/mrxczhlkrnmfel-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-dicarbaldehyde)
title: InChI=1S/C18H16O2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-12H,3-4,7-8H2

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.25646/10030
title: Tagesdaten-CSV aus dem DIVI-Intensivregister

description: Die Tagesdaten-CSV entspricht einem Auszug der Daten des DIVI-Intensivregisters. Die Datei enthält eine Aggregation der aktuellsten Meldungen pro Landkreis. Es werden die aktuell gemeldeten Anzahlen der COVID-19 Intensivfälle sowie die gemeldeten intensivmedizinischen Behandlungskapazitäten angezeigt. Die Tagesdaten-CSV liefert dabei ausschließlich einen Blick auf die Daten gemäß dem Stand des betrachteten Tages. Die Daten sind im situationsbedingten Kontext aufbereitet, damit sind verschiedene Tagesdaten-CSVs u.U. nicht direkt miteinander vergleichbar. Die aktuellsten Meldungen werden im gewählten Betrachtungszeitfenster über alle Meldebereiche und Standorte aufsummiert. Weitere Informationen sind zu finden unter https://www.intensivregister.de/#/faq
DOI: 10.18128/d060.v.3.1
title: American Time Use Survey Data Extract Builder: Version 3.1

description: The American Time Use Survey Data Extract Builder (IPUMS ATUS) is a part of IPUMS Time Use, dedicated to making time use data easier for researchers to use. The American Time Use Survey (ATUS) ATUS is an ongoing annual time diary study, started in 2003, that is funded by the U.S. Bureau of Labor Statistics (BLS) and fielded by the U.S. Census Bureau. It provides detailed information about the activities in which respondents engage together with extensive information about the characteristics of those respondents and other members of their households. The ATUS is a general purpose survey that already has been used to study a diverse range of topics, including parent time with children, gender differences in time devoted to household work, household production over the life cycle and its implications for the well-being of elderly Americans, hours of paid work, and the effects of shift work on time for other activities, to name just a few. IPUMS ATUS is an online data access system and available free of charge to registered users at www.ipums.org/timeuse.
DOI: 10.5281/zenodo.6897649
title: NAPS Continuous Data: across 52 Census Divisions from 1980-2019

description: The National Air Pollution Surveillance (NAPS) Program is a national system of air pollution sampling sites managed by Environment and Climate Change Canada, with cooperation from Provincial, Territorial, and regional partners who manage the sites and report data. This dataset contains aggregated and imputed continuous monitoring pollutant concentrations from 52 Canadian census divisions spanning 1980-2019.
description: Scripts used to create the database; https://zenodo.org/badge/latestdoi/517644618
DOI: 10.25646/10070
title: Tagesdaten-CSV aus dem DIVI-Intensivregister

description: Die Tagesdaten-CSV entspricht einem Auszug der Daten des DIVI-Intensivregisters. Die Datei enthält eine Aggregation der aktuellsten Meldungen pro Landkreis. Es werden die aktuell gemeldeten Anzahlen der COVID-19 Intensivfälle sowie die gemeldeten intensivmedizinischen Behandlungskapazitäten angezeigt. Die Tagesdaten-CSV liefert dabei ausschließlich einen Blick auf die Daten gemäß dem Stand des betrachteten Tages. Die Daten sind im situationsbedingten Kontext aufbereitet, damit sind verschiedene Tagesdaten-CSVs u.U. nicht direkt miteinander vergleichbar. Die aktuellsten Meldungen werden im gewählten Betrachtungszeitfenster über alle Meldebereiche und Standorte aufsummiert. Weitere Informationen sind zu finden unter https://www.intensivregister.de/#/faq
DOI: 10.5281/zenodo.6897648
title: NAPS Continuous Data: across 52 Census Divisions from 1980-2019

description: The National Air Pollution Surveillance (NAPS) Program is a national system of air pollution sampling sites managed by Environment and Climate Change Canada, with cooperation from Provincial, Territorial, and regional partners who manage the sites and report data. This dataset contains aggregated and imputed continuous monitoring pollutant concentrations from 52 Canadian census divisions spanning 1980-2019.
description: Scripts used to create the database; https://zenodo.org/badge/latestdoi/517644618