cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/lrhqvsjdopycor-uhfffaoysa-m/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C29H30N3.C18H15P.ClH.Pd/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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h4-5,8-12,16,18-19,25,30H,1-3,6-7,13-15,17H2;1-15H;1H;/q;;;+1/p-1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3) δ [ppm] = 8.79 (dt, J = 9.0 Hz, J = 1.1 Hz, 1H), 8.24 (dt, J = 6.9 Hz, J = 1.2 Hz, 1H), 7.61 (ddd, J = 11.3 Hz, J = 8.3 Hz, J = 1.3 Hz, 6H), 7.35–7.28 (m, 4H), 7.21 (td, J = 7.7 Hz, J = 2.2 Hz, 6H), 7.01–6.91 (m, 2H), 6.48–6.41 (m, 2H), 6.03 (d, J = 7.8 Hz, 1H), 5.83 (dd, J = 7.8 Hz, J = 1.7 Hz, 1H), 5.59 (dd, J = 7.8 Hz, J = 1.7 Hz, 1H), 3.41 (ddd, J = 13.6 Hz, J = 9.4 Hz, J = 4.6 Hz, 1H), 3.32 (ddd, J = 12.8 Hz, J = 10.1 Hz, J = 5.4 Hz, 1H), 3.11–3.04 (m, 2H), 3.01–2.95 (m, 1H), 2.94–2.85 (m, 2H), 2.80 (ddd, J = 13.7 Hz, J = 9.4 Hz, J = 4.5 Hz, 1H), 2.65 (ddd, J = 13.5 Hz, J = 9.2 Hz, J = 5.1 Hz, 1H), 2.09–2.00 (m, 1H), 1.87–1.79 (m, 1H), 1.75–1.63 (m, 2H), 1.50 (dd, J = 8.8 Hz, J = 4.3 Hz, 1H), 1.28–1.07 (m, 6H).
DOI: 10.14272/ngpfpshzdmlamo-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C40H46N6/c1-3-5-9-23-41-39-37(43-35-13-7-11-25-45(35)39)33-27-29-15-19-31(33)21-17-30-16-20-32(22-18-29)34(28-30)38-40(42-24-10-6-4-2)46-26-12-8-14-36(46)44-38/h7-8,11-16,19-20,25-28,41-42H,3-6,9-10,17-18,21-24H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3) δ [ppm] = 8.09 (d, J = 6.8 Hz, 2H, CHAr), 7.79 (d, J = 9.1 Hz, 2H, CHAr), 7.20 (t, J = 8.0 Hz, 2H, CHAr), 7.13 (d, J = 2.0 Hz, 2H, CHAr), 6.92 (d, J = 7.9 Hz, 2H, CHAr), 6.86 (t, J = 6.7 Hz, 2H, CHAr), 6.70 (dd, J = 7.8 Hz, J = 2.0 Hz, 2H, CHAr), 3.37 (t, J = 6.8 Hz, 2H, NH), 3.19 (pt, J = 9.3 Hz, J = 5.1 Hz, 4H, CH2-PCP), 2.95 (qdd, J = 13.5 Hz, J = 8.9 Hz, J = 5.1 Hz, 4H, CH2-PCP), 2.78 (ddp, J = 18.7 Hz, J = 12.5 Hz, J = 6.5 Hz, 4H, CH2), 1.36–1.23 (m, 4H, CH2), 1.13 (tq, J = 8.4 Hz, J = 5.2 Hz, 8H, CH2), 0.80–0.73 (m, 6H, CH3).
DOI: 10.14272/ngpfpshzdmlamo-uhfffaoysa-n/chmo0000726
title: high resolution fast-atom bombardment mass spectrometry (HRFABMS) ()
title: InChI=1S/C40H46N6/c1-3-5-9-23-41-39-37(43-35-13-7-11-25-45(35)39)33-27-29-15-19-31(33)21-17-30-16-20-32(22-18-29)34(28-30)38-40(42-24-10-6-4-2)46-26-12-8-14-36(46)44-38/h7-8,11-16,19-20,25-28,41-42H,3-6,9-10,17-18,21-24H2,1-2H3

description: dataset for high resolution fast-atom bombardment mass spectrometry (HRFABMS) HRMS‑FAB (m/z): [M + H]+ calcd. for C40H47N6, 611.3857; found, 611.3856.
DOI: 10.14272/ngpfpshzdmlamo-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C40H46N6/c1-3-5-9-23-41-39-37(43-35-13-7-11-25-45(35)39)33-27-29-15-19-31(33)21-17-30-16-20-32(22-18-29)34(28-30)38-40(42-24-10-6-4-2)46-26-12-8-14-36(46)44-38/h7-8,11-16,19-20,25-28,41-42H,3-6,9-10,17-18,21-24H2,1-2H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/ngpfpshzdmlamo-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C40H46N6/c1-3-5-9-23-41-39-37(43-35-13-7-11-25-45(35)39)33-27-29-15-19-31(33)21-17-30-16-20-32(22-18-29)34(28-30)38-40(42-24-10-6-4-2)46-26-12-8-14-36(46)44-38/h7-8,11-16,19-20,25-28,41-42H,3-6,9-10,17-18,21-24H2,1-2H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3370 (vw), 3012 (vw), 2949 (m), 2925 (s), 2853 (m), 1628 (w), 1591 (w), 1558 (m), 1500 (w), 1465 (w), 1426 (w), 1374 (w), 1344 (s), 1266 (m), 1235 (m), 1193 (m), 1146 (w), 1123 (w), 1105 (m), 1065 (w), 1041 (w), 1001 (w), 907 (m), 878 (w), 860 (w), 827 (w), 802 (m), 749 (vs), 735 (vs), 674 (s), 626 (w), 602 (m), 574 (w), 510 (vs), 456 (m), 441 (m), 424 (w), 411 (w), 398 (m), 390 (w), 380 (m) cm–1.
DOI: 10.14272/ngpfpshzdmlamo-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C40H46N6/c1-3-5-9-23-41-39-37(43-35-13-7-11-25-45(35)39)33-27-29-15-19-31(33)21-17-30-16-20-32(22-18-29)34(28-30)38-40(42-24-10-6-4-2)46-26-12-8-14-36(46)44-38/h7-8,11-16,19-20,25-28,41-42H,3-6,9-10,17-18,21-24H2,1-2H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS) FAB‑MS m/z (%): 612 (40), 611 [M + H]+ (100), 610 [M]+ (49), 609 (17), 553 (12), 539 (12), 512 (15), 307 (13), 306 (53), 305 (15), 235 (13), 234 (17), 233 (16), 219 (16), 209 (13), 208 (20), 207 (30), 154 (17), 136 (15), 95 (12), 91 (14).
DOI: 10.14272/ngpfpshzdmlamo-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C40H46N6/c1-3-5-9-23-41-39-37(43-35-13-7-11-25-45(35)39)33-27-29-15-19-31(33)21-17-30-16-20-32(22-18-29)34(28-30)38-40(42-24-10-6-4-2)46-26-12-8-14-36(46)44-38/h7-8,11-16,19-20,25-28,41-42H,3-6,9-10,17-18,21-24H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3) δ [ppm] = 141.2 (2C, Cq), 139.9 (2C, Cq), 136.8 (2C, Cq), 135.8 (2C, CHAr), 134.9 (2C, Cq), 132.9 (2C, CHAr), 132.5 (2C, CHAr), 127.3 (2C, Cq), 123.6 (2C, CHAr), 122.7 (2C, CHAr), 117.5 (2C, CHAr), 111.9 (2C, CHAr), 111.8 (2C, Cq), 47.9 (2C, CH2), 35.3 (2C, CH2), 33.5 (2C, CH2), 30.1 (2C, CH2), 29.1 (2C, CH2), 22.5 (2C, CH2), 14.1 (2C, CH3).
DOI: 10.14272/ngpfpshzdmlamo-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C40H46N6/c1-3-5-9-23-41-39-37(43-35-13-7-11-25-45(35)39)33-27-29-15-19-31(33)21-17-30-16-20-32(22-18-29)34(28-30)38-40(42-24-10-6-4-2)46-26-12-8-14-36(46)44-38/h7-8,11-16,19-20,25-28,41-42H,3-6,9-10,17-18,21-24H2,1-2H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/ngpfpshzdmlamo-uhfffaoysa-n.1
title: C40H46N6
title: InChI=1S/C40H46N6/c1-3-5-9-23-41-39-37(43-35-13-7-11-25-45(35)39)33-27-29-15-19-31(33)21-17-30-16-20-32(22-18-29)34(28-30)38-40(42-24-10-6-4-2)46-26-12-8-14-36(46)44-38/h7-8,11-16,19-20,25-28,41-42H,3-6,9-10,17-18,21-24H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C40H46N6/c1-3-5-9-23-41-39-37(43-35-13-7-11-25-45(35)39)33-27-29-15-19-31(33)21-17-30-16-20-32(22-18-29)34(28-30)38-40(42-24-10-6-4-2)46-26-12-8-14-36(46)44-38/h7-8,11-16,19-20,25-28,41-42H,3-6,9-10,17-18,21-24H2,1-2H3). 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) 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) 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ngpfpshzdmlamo-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C40H46N6/c1-3-5-9-23-41-39-37(43-35-13-7-11-25-45(35)39)33-27-29-15-19-31(33)21-17-30-16-20-32(22-18-29)34(28-30)38-40(42-24-10-6-4-2)46-26-12-8-14-36(46)44-38/h7-8,11-16,19-20,25-28,41-42H,3-6,9-10,17-18,21-24H2,1-2H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/uqjhnsomyncvfc-uhfffaoysa-n.2
title: C28H31N3
title: InChI=1S/C28H31N3/c1-2-3-5-18-29-28-27(30-26-7-4-6-19-31(26)28)25-20-23-13-12-21-8-10-22(11-9-21)14-16-24(25)17-15-23/h4,6-11,15,17,19-20,29H,2-3,5,12-14,16,18H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C28H31N3/c1-2-3-5-18-29-28-27(30-26-7-4-6-19-31(26)28)25-20-23-13-12-21-8-10-22(11-9-21)14-16-24(25)17-15-23/h4,6-11,15,17,19-20,29H,2-3,5,12-14,16,18H2,1H3). 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/uqjhnsomyncvfc-uhfffaoysa-n/chmo0000726.1
title: high resolution fast-atom bombardment mass spectrometry (HRFABMS) ()
title: InChI=1S/C28H31N3/c1-2-3-5-18-29-28-27(30-26-7-4-6-19-31(26)28)25-20-23-13-12-21-8-10-22(11-9-21)14-16-24(25)17-15-23/h4,6-11,15,17,19-20,29H,2-3,5,12-14,16,18H2,1H3

description: dataset for high resolution fast-atom bombardment mass spectrometry (HRFABMS) HRMS‑FAB (m/z): [M + H]+ calcd. for C28H32N3, 410.2596; found, 410.2566.
DOI: 10.14272/uqjhnsomyncvfc-uhfffaoysa-n/chmo0001150.1
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C28H31N3/c1-2-3-5-18-29-28-27(30-26-7-4-6-19-31(26)28)25-20-23-13-12-21-8-10-22(11-9-21)14-16-24(25)17-15-23/h4,6-11,15,17,19-20,29H,2-3,5,12-14,16,18H2,1H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/uqjhnsomyncvfc-uhfffaoysa-n/chmo0000763.1
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C28H31N3/c1-2-3-5-18-29-28-27(30-26-7-4-6-19-31(26)28)25-20-23-13-12-21-8-10-22(11-9-21)14-16-24(25)17-15-23/h4,6-11,15,17,19-20,29H,2-3,5,12-14,16,18H2,1H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3329 (w), 2948 (m), 2925 (vs), 2893 (m), 2853 (s), 1626 (w), 1588 (w), 1554 (s), 1500 (m), 1452 (m), 1441 (m), 1411 (w), 1364 (m), 1346 (vs), 1272 (m), 1264 (m), 1232 (m), 1186 (s), 1116 (w), 905 (m), 858 (w), 805 (s), 744 (vs), 728 (vs), 715 (vs), 647 (s), 613 (m), 591 (m), 513 (vs), 500 (s), 442 (m) cm–1.
DOI: 10.14272/uqjhnsomyncvfc-uhfffaoysa-n/chmo0001146.1
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C28H31N3/c1-2-3-5-18-29-28-27(30-26-7-4-6-19-31(26)28)25-20-23-13-12-21-8-10-22(11-9-21)14-16-24(25)17-15-23/h4,6-11,15,17,19-20,29H,2-3,5,12-14,16,18H2,1H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/uqjhnsomyncvfc-uhfffaoysa-n/chmo0001148.1
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C28H31N3/c1-2-3-5-18-29-28-27(30-26-7-4-6-19-31(26)28)25-20-23-13-12-21-8-10-22(11-9-21)14-16-24(25)17-15-23/h4,6-11,15,17,19-20,29H,2-3,5,12-14,16,18H2,1H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/uqjhnsomyncvfc-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C28H31N3/c1-2-3-5-18-29-28-27(30-26-7-4-6-19-31(26)28)25-20-23-13-12-21-8-10-22(11-9-21)14-16-24(25)17-15-23/h4,6-11,15,17,19-20,29H,2-3,5,12-14,16,18H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3) δ [ppm] = 141.4 (CAr), 140.2 (CAr), 139.6 (CAr), 139.4 (CAr), 137.1 (CAr), 135.4 (CHAr), 135.0 (CAr), 133.6 (CHAr), 133.3 (CAr), 133.2 (CHAr), 133.0 (CHAr), 132.6 (CHAr), 132.3 (CHAr), 132.1 (CHAr), 127.2 (CAr), 123.4 (CHAr), 122.6 (CHAr), 117.6 (CHAr), 111.8 (CHAr), 47.9 (CH2), 35.6 (CH2-PCP), 35.5 (CH2-PCP), 35.4 (CH2-PCP), 34.2 (CH2-PCP), 30.1 (CH2), 29.1 (CH2), 22.5 (CH2), 14.1 (CH3).
DOI: 10.14272/uqjhnsomyncvfc-uhfffaoysa-n/chmo0000563.1
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C28H31N3/c1-2-3-5-18-29-28-27(30-26-7-4-6-19-31(26)28)25-20-23-13-12-21-8-10-22(11-9-21)14-16-24(25)17-15-23/h4,6-11,15,17,19-20,29H,2-3,5,12-14,16,18H2,1H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 412 (5), 411 (28), 410 [M + H]+ (100), 409 [M]+ (61), 408 (13), 352 (12), 311 (5), 306 (12), 207 (5), 154 (5).
DOI: 10.5281/zenodo.6625119
title: MEDIC: A Multi-Task Learning Dataset for Disaster Image Classification

description: Recent research in disaster informatics demonstrates a practical and important use case of artificial intelligence to save human lives and suffering during natural disasters based on social media contents (text and images). While notable progress has been made using texts, research on exploiting the images remains relatively under-explored. To advance image-based approaches, we propose MEDIC\footnote{Available~at: \url{https://crisisnlp.qcri.org/medic/index.html}}, which is the largest social media image classification dataset for humanitarian response consisting of 71,198 images to address four different tasks in a multi-task learning setup. This is the first dataset of its kind: social media images, disaster response, and multi-task learning research. An important property of this dataset is its high potential to facilitate research on \textit{multi-task learning}, which recently receives much interest from the machine learning community and has shown remarkable results in terms of memory, inference speed, performance, and generalization capability. Therefore, the proposed dataset is an important resource for advancing image-based disaster management and multi-task machine learning research. <br>
DOI: 10.14272/uqjhnsomyncvfc-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C28H31N3/c1-2-3-5-18-29-28-27(30-26-7-4-6-19-31(26)28)25-20-23-13-12-21-8-10-22(11-9-21)14-16-24(25)17-15-23/h4,6-11,15,17,19-20,29H,2-3,5,12-14,16,18H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3) δ [ppm] = 8.05 (d, J = 6.8 Hz, 1H, CHAr), 7.77 (d, J = 9.1 Hz, 1H, CHAr), 7.17 (ddd, J = 9.1 Hz, J = 6.6 Hz, J = 1.4 Hz, 1H, CHAr), 7.03 (d, J = 1.8 Hz, 1H, CHAr), 6.84 (td, J = 6.8 Hz, J = 1.1 Hz, 1H, CHAr), 6.78 (dd, J = 7.8 Hz, J = 1.9 Hz, 1H, CHAr), 6.68–6.61 (m, 2H, CHAr), 6.58 (dd, J = 7.8 Hz, J = 1.9 Hz, 1H, CHAr), 6.55 (d, J = 7.8 Hz, 1H, CHAr), 6.49 (dd, J = 7.8 Hz, J = 1.9 Hz, 1H, CHAr), 3.29–3.18 (m, 2H, CH2-PCP), 3.18–2.96 (m, 4H, CH2‑PCP), 2.93 – 2.82 (m, 2H, CH2-PCP), 2.82–2.70 (m, 2H, CH2), 1.40–1.21 (m, 2H, CH2), 1.21–1.05 (m, 4H, CH2), 0.81–0.73 (m, 3H, CH3). Missing Signal ( 1H, NH) due to H/D exchange.
DOI: 10.14272/zznoukndcqucga-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C33H35N3/c1-2-14-36-30(3-1)34-31(32(36)35-33-19-25-15-26(20-33)17-27(16-25)21-33)29-18-24-9-8-22-4-6-23(7-5-22)10-12-28(29)13-11-24/h1-7,11,13-14,18,25-27,35H,8-10,12,15-17,19-21H2

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/zznoukndcqucga-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C33H35N3/c1-2-14-36-30(3-1)34-31(32(36)35-33-19-25-15-26(20-33)17-27(16-25)21-33)29-18-24-9-8-22-4-6-23(7-5-22)10-12-28(29)13-11-24/h1-7,11,13-14,18,25-27,35H,8-10,12,15-17,19-21H2

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 2904 (vs), 2849 (s), 1663 (s), 1622 (m), 1591 (m), 1547 (m), 1502 (m), 1480 (m), 1452 (m), 1429 (m), 1358 (m), 1305 (m), 1261 (vs), 1204 (s), 1089 (vs), 1018 (vs), 938 (w), 902 (m), 863 (m), 799 (vs), 755 (vs), 735 (vs), 718 (vs), 674 (s), 629 (s), 569 (s), 511 (vs), 496 (s), 442 (s), 384 (s) cm–1.
DOI: 10.14272/zznoukndcqucga-uhfffaoysa-n/chmo0000726
title: high resolution fast-atom bombardment mass spectrometry (HRFABMS) ()
title: InChI=1S/C33H35N3/c1-2-14-36-30(3-1)34-31(32(36)35-33-19-25-15-26(20-33)17-27(16-25)21-33)29-18-24-9-8-22-4-6-23(7-5-22)10-12-28(29)13-11-24/h1-7,11,13-14,18,25-27,35H,8-10,12,15-17,19-21H2

description: dataset for high resolution fast-atom bombardment mass spectrometry (HRFABMS) HRMS‑FAB (m/z): [M + H]+ calcd. for C33H36N3, 474.2904; found, 474.2904.
DOI: 10.14272/zznoukndcqucga-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C33H35N3/c1-2-14-36-30(3-1)34-31(32(36)35-33-19-25-15-26(20-33)17-27(16-25)21-33)29-18-24-9-8-22-4-6-23(7-5-22)10-12-28(29)13-11-24/h1-7,11,13-14,18,25-27,35H,8-10,12,15-17,19-21H2

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/zznoukndcqucga-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C33H35N3/c1-2-14-36-30(3-1)34-31(32(36)35-33-19-25-15-26(20-33)17-27(16-25)21-33)29-18-24-9-8-22-4-6-23(7-5-22)10-12-28(29)13-11-24/h1-7,11,13-14,18,25-27,35H,8-10,12,15-17,19-21H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3) δ [ppm] = 8.32 (dd, J = 6.8 Hz, J = 1.5 Hz, 1H), 7.68 (d, J = 9.0 Hz, 1H), 7.15 (t, J = 7.9 Hz, 1H), 7.04 (d, J = 2.0 Hz, 1H), 6.78 (t, J = 6.8 Hz, 2H), 6.69 (dd, J = 7.8 Hz, J = 1.9 Hz, 1H), 6.62 (dd, J = 7.8, 1.9 Hz, 1H), 6.56 (dd, J = 7.7 Hz, J = 1.9 Hz, 1H), 6.50–6.44 (m, 2H), 3.24 (ddd, J = 12.9 Hz, J = 9.3 Hz, J = 4.1 Hz, 1H, NH), 3.16–3.09 (m, 2H), 3.09–3.00 (m, 2H), 2.99–2.92 (m, 2H), 2.84 (t, J = 7.2 Hz, 2H), 1.79 (p, J = 3.0 Hz, 3H), 1.43 (s, 6H), 1.37–1.29 (m, 6H).
DOI: 10.14272/zznoukndcqucga-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C33H35N3/c1-2-14-36-30(3-1)34-31(32(36)35-33-19-25-15-26(20-33)17-27(16-25)21-33)29-18-24-9-8-22-4-6-23(7-5-22)10-12-28(29)13-11-24/h1-7,11,13-14,18,25-27,35H,8-10,12,15-17,19-21H2

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 475 (32), 474 [M + H]+(100), 473 [M]+(19), 207 (22), 154 (23), 149 (26), 147 (49), 136 (36), 135 (32), 133 (94), 91 (32), 90 (22), 89 (30).
DOI: 10.14272/zznoukndcqucga-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C33H35N3/c1-2-14-36-30(3-1)34-31(32(36)35-33-19-25-15-26(20-33)17-27(16-25)21-33)29-18-24-9-8-22-4-6-23(7-5-22)10-12-28(29)13-11-24/h1-7,11,13-14,18,25-27,35H,8-10,12,15-17,19-21H2

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/zznoukndcqucga-uhfffaoysa-n.1
title: 2-(1,4(1,4)-dibenzenacyclohexaphane-12-yl)-N-((1s,3s)-adamantan-1-yl)imidazo[1,2-a]pyridin-3-amine
title: InChI=1S/C33H35N3/c1-2-14-36-30(3-1)34-31(32(36)35-33-19-25-15-26(20-33)17-27(16-25)21-33)29-18-24-9-8-22-4-6-23(7-5-22)10-12-28(29)13-11-24/h1-7,11,13-14,18,25-27,35H,8-10,12,15-17,19-21H2

description: This dataset contains experimental data from a sample (InChI=1S/C33H35N3/c1-2-14-36-30(3-1)34-31(32(36)35-33-19-25-15-26(20-33)17-27(16-25)21-33)29-18-24-9-8-22-4-6-23(7-5-22)10-12-28(29)13-11-24/h1-7,11,13-14,18,25-27,35H,8-10,12,15-17,19-21H2). The datasets from the following experiments are available: 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) fast-atom bombardment mass spectrometry (FABMS) high resolution fast-atom bombardment mass spectrometry (HRFABMS) attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/zznoukndcqucga-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C33H35N3/c1-2-14-36-30(3-1)34-31(32(36)35-33-19-25-15-26(20-33)17-27(16-25)21-33)29-18-24-9-8-22-4-6-23(7-5-22)10-12-28(29)13-11-24/h1-7,11,13-14,18,25-27,35H,8-10,12,15-17,19-21H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3) δ [ppm] = 142.3, 139.9, 139.6, 139.3, 136.8, 135.0, 134.5, 134.0, 133.4, 133.3, 132.7, 132.6, 131.8, 124.0, 123.4, 123.2, 123.2, 117.5, 111.0, 56.6 (Cq), 43.4 (CH2), 36.2 (2C, CH2), 35.6 (CH2), 35.6 (CH2), 35.5 (CH2), 34.0 (CH2), 29.7 (3C, CH), 27.1 (3C, CH2).
DOI: 10.14272/lcxuhirwdwprkn-uhfffaoysa-n/chmo0000726
title: high resolution fast-atom bombardment mass spectrometry (HRFABMS) ()
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 high resolution fast-atom bombardment mass spectrometry (HRFABMS) HRMS-FAB (m/z): [M]+ calcd. for C17H17NO, 251.1305, found: 251.1306.
DOI: 10.25646/9889
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: 10.14272/lcxuhirwdwprkn-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
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 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, DMSO) δ [ppm] = 159.0 (CHO), 140.2 (CAr), 138.8 (CAr), 138.7 (CAr), 136.5 (CAr), 134.9 (CHAr), 133.0 (CHAr), 132.9 (CHAr), 132.0 (CHAr), 130.1 (CAr), 128.4 (CHAr), 128.3 (CHAr), 126.4 (CHAr), 34.7 (CH2), 34.5 (CH2), 33.0 (CH2), 32.6 (CH2).Minor Isomer:13C NMR (126 MHz, DMSO) δ [ppm] = 164.0 (CHO), 140.9 (CAr), 139.1 (CAr), 138.8 (CAr), 136.6 (CAr), 135.7 (CHAr), 133.1 (CHAr), 132.9 (CHAr), 131.8 (CHAr), 130.4 (CAr), 130.1 (CHAr), 128.0 (CHAr), 123.7 (CHAr), 34.6 (CH2), 34.3 (CH2), 33.3 (CH2), 32.1 (CH2).
DOI: 10.14272/lcxuhirwdwprkn-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
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 nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DMSO) δ [ppm] = 9.73 (d, J = 10.9 Hz, 0.35H, NH), 9.50 (s, 0.65H, NH), 8.48 (d, J = 10.9 Hz, 0.33H), 8.27 (d, J = 2.0 Hz, 0.67H), 6.82 (d, J = 1.7 Hz, 0.70H), 6.73 (dd, J = 7.7 Hz, J = 1.9 Hz, 0.70H), 6.69 (dd, J = 7.8 Hz, J = 2.0 Hz, 0.30H), 6.55 (dd, J = 7.8 Hz, J = 1.9 Hz, 0.30H), 6.51 (dd, J = 7.8 Hz, J = 1.9 Hz, 0.72H), 6.48 (d, J = 1.6 Hz, 0.28H), 6.47–6.45 (m, 1H), 6.45–6.43 (m, 0.7H), 6.42–6.41 (m, 0.7H), 6.39 (t, J = 2.3 Hz, 0.62H), 6.37 (t, J = 2.3 Hz, 0.60H), 6.21 (d, J = 1.7 Hz, 0.38H), 3.42–3.27 (m, 1H, CH2), 3.06–2.85 (m, 6H, CH2), 2.73–2.62 (m, 1H, CH2).
DOI: 10.14272/lcxuhirwdwprkn-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
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--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/lcxuhirwdwprkn-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
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 attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3153 (w), 3065 (w), 3031 (w), 3006 (w), 2927 (m), 2900 (w), 2853 (w), 1689 (vs), 1649 (m), 1595 (m), 1568 (w), 1497 (w), 1455 (w), 1445 (w), 1422 (w), 1411 (w), 1385 (w), 1309 (s), 1281 (vs), 1241 (m), 1086 (w), 1038 (w), 945 (w), 898 (m), 878 (m), 830 (w), 805 (vs), 783 (m), 721 (s), 696 (w), 671 (s), 646 (m), 591 (s), 520 (m), 500 (m), 482 (vs), 466 (w), 425 (m) cm–1.