cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.34740/kaggle/dsv/3984324
title: YouTube Trending Video Dataset (updated daily)
DOI: 10.5281/zenodo.6901370
title: Geranoaetus albicaudatus decontaminated gx

description: .
DOI: 10.5281/zenodo.6901369
title: Geranoaetus albicaudatus decontaminated gx

description: .
DOI: 10.6084/m9.figshare.20171178
title: Dynamic Network Quantile Regression Model

description: We propose a dynamic network quantile regression model to investigate the quantile connectedness using a predetermined network information. We extend the existing network quantile autoregression model of Zhu et al. by explicitly allowing the contemporaneous network effects and controlling for the common factors across quantiles. To cope with the endogeneity issue due to simultaneous network spillovers, we adopt the instrumental variable quantile regression (IVQR) estimation and derive the consistency and asymptotic normality of the IVQR estimator using the near epoch dependence property of the network process. Via Monte Carlo simulations, we confirm the satisfactory performance of the IVQR estimator across different quantiles under the different network structures. Finally, we demonstrate the usefulness of our proposed approach with an application to the dataset on the stocks traded in NYSE and NASDAQ in 2016.
DOI: 10.5281/zenodo.6901389
title: Notarius kessleri RB0020 GRAHAM decontaminated gx

description: .
DOI: 10.5281/zenodo.6901388
title: Notarius kessleri RB0020 GRAHAM decontaminated gx

description: .
DOI: 10.34740/kaggle/dsv/3984361
title: 2021 World Population (updated daily)
DOI: 10.5281/zenodo.6898136
title: data set of scopus about technology and halal meat supply chain publications

description: This is the dataset of papers related to the topics of technology and halal meat supply chain collected from Scopus. The duration of year was 2008-2022
DOI: 10.5281/zenodo.6898135
title: data set of scopus about technology and halal meat supply chain publications

description: This is the dataset of papers related to the topics of technology and halal meat supply chain collected from Scopus. The duration of year was 2008-2022
DOI: 10.5281/zenodo.6895592
title: Demographic data along with a comparison of α1-Antitrypsin, Interleukin-1β and Interleukin -6 levels measured in this study

description: <strong>Serum levels of α-1Antitrypsin, Interleukin-1β, and Interleukin-6 in Iraqi COVID-19 patients: A cross-Sectional Study, data set</strong>
DOI: 10.5281/zenodo.6874313
title: AMOC reconstruction between 1981 and 2016 from hydrographic data using an empirical linear regression model from Worthington, E. L., Moat, B. I., Smeed, D. A., Mecking, J. V., Marsh, R., and McCarthy, G. D.: A 30-year reconstruction of the Atlantic meridional overturning circulation shows no decline, Ocean Sci., 17, 285–299, https://doi.org/10.5194/os-17-285-2021, 2021.

description: Dataset used to create Figure 8 in Worthington et al., 2021 (https://doi.org/10.5194/os-17-285-2021). Details of the data and methods can be found in the journal article.<br> <br> Worthington, E. L., Moat, B. I., Smeed, D. A., Mecking, J. V., Marsh, R., and McCarthy, G. D.: A 30-year reconstruction of the Atlantic meridional overturning circulation shows no decline, Ocean Sci., 17, 285–299, https://doi.org/10.5194/os-17-285-2021, 2021.
DOI: 10.5281/zenodo.6874312
title: AMOC reconstruction between 1981 and 2016 from hydrographic data using an empirical linear regression model from Worthington, E. L., Moat, B. I., Smeed, D. A., Mecking, J. V., Marsh, R., and McCarthy, G. D.: A 30-year reconstruction of the Atlantic meridional overturning circulation shows no decline, Ocean Sci., 17, 285–299, https://doi.org/10.5194/os-17-285-2021, 2021.

description: Dataset used to create Figure 8 in Worthington et al., 2021 (https://doi.org/10.5194/os-17-285-2021). Details of the data and methods can be found in the journal article.<br> <br> Worthington, E. L., Moat, B. I., Smeed, D. A., Mecking, J. V., Marsh, R., and McCarthy, G. D.: A 30-year reconstruction of the Atlantic meridional overturning circulation shows no decline, Ocean Sci., 17, 285–299, https://doi.org/10.5194/os-17-285-2021, 2021.
DOI: 10.14272/ucynbezqqpmtad-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)29-30(33-19-3-2-4-28(33)32-29)31-27-20-23-10-9-21-5-7-22(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 C30H28O1N3, 446.2232; found, 446.2234.
DOI: 10.14272/ucynbezqqpmtad-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)29-30(33-19-3-2-4-28(33)32-29)31-27-20-23-10-9-21-5-7-22(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) FAB‑MS m/z (%): 448 (6), 447 (33), 446 [M + H]+ (100), 445 [M]+ (78), 444 (18), 342 (10), 341 (14), 212 (5), 211 (37), 155 (5), 154 (15), 138 (5), 137 (9), 136 (13), 107 (5), 95 (5), 91 (8), 89 (5).
DOI: 10.14272/ucynbezqqpmtad-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)29-30(33-19-3-2-4-28(33)32-29)31-27-20-23-10-9-21-5-7-22(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) = 3269 (vw), 3006 (vw), 2921 (w), 2854 (w), 1613 (w), 1568 (s), 1524 (w), 1513 (s), 1499 (s), 1468 (w), 1417 (m), 1398 (s), 1343 (s), 1293 (m), 1269 (w), 1247 (vs), 1197 (w), 1173 (s), 1142 (w), 1108 (w), 1030 (s), 836 (vs), 798 (w), 786 (w), 751 (vs), 735 (vs), 717 (s), 561 (m), 523 (w), 513 (w), 492 (w), 449 (w) cm–1.
DOI: 10.5281/zenodo.6881548
title: Direct tailpipe measurements of δ15N-NH3 at different emission stages

description: Vehicle details, NH<sub>3</sub> concentrations and <em>δ</em><sup>15</sup>N-NH<sub>3</sub> values for collected exhaust samples (triplicate).
DOI: 10.14272/ucynbezqqpmtad-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)29-30(33-19-3-2-4-28(33)32-29)31-27-20-23-10-9-21-5-7-22(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: 10.5281/zenodo.6880855
title: SeaFlect DataPool

description: Aeolus return signal colocated with surface wind speed, and chlorophyll information over selected regions and periods. Data prepared under the SeaFlect project funded by ESA Aeolus + Innovation project (contract reference 4000133131/20/I-BG) More information on the SeaFlect project can be found at https://aeolus-surface-wind.aer.com/
DOI: 10.5281/zenodo.6881547
title: Direct tailpipe measurements of δ15N-NH3 at different emission stages

description: Vehicle details, NH<sub>3</sub> concentrations and <em>δ</em><sup>15</sup>N-NH<sub>3</sub> values for collected exhaust samples (triplicate).
DOI: 10.14272/ucynbezqqpmtad-uhfffaoysa-n.1
title: C30H27N3O
title: InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)29-30(33-19-3-2-4-28(33)32-29)31-27-20-23-10-9-21-5-7-22(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)29-30(33-19-3-2-4-28(33)32-29)31-27-20-23-10-9-21-5-7-22(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: 10.5281/zenodo.6880854
title: SeaFlect DataPool

description: Aeolus return signal colocated with surface wind speed, and chlorophyll information over selected regions and periods. Data prepared under the SeaFlect project funded by ESA Aeolus + Innovation project (contract reference 4000133131/20/I-BG) More information on the SeaFlect project can be found at https://aeolus-surface-wind.aer.com/
DOI: 10.14272/ucynbezqqpmtad-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)29-30(33-19-3-2-4-28(33)32-29)31-27-20-23-10-9-21-5-7-22(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/ucynbezqqpmtad-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)29-30(33-19-3-2-4-28(33)32-29)31-27-20-23-10-9-21-5-7-22(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] =159.6 (CAr), 143.4 (CAr), 142.4 (CAr), 142.0 (CAr), 139.7 (CAr), 139.1 (CAr), 139.0 (CAr), 136.1 (CHAr), 133.0 (CHAr), 132.96 (CHAr), 131.9 (CHAr), 129.2 (2C, CHAr), 128.4 (CHAr), 126.4 (CAr), 124.6 (CHAr), 124.6 (CHAr), 124.3 (CAr), 123.1 (CHAr), 119.5 (CHAr), 118.8 (CAr), 117.4 (CHAr), 114.0 (2C,CHAr), 111.81 (CHAr), 55.4 (OCH3), 35.3 (CH2‑PCP), 35.1 (CH2‑PCP), 33.9 (CH2‑PCP), 32.0 (CH2‑PCP).
DOI: 10.14272/ucynbezqqpmtad-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)29-30(33-19-3-2-4-28(33)32-29)31-27-20-23-10-9-21-5-7-22(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] = 8.08–7.99 (m, 2H, CHAr), 7.62–7.53 (m, 2H, CHAr), 7.13 (ddd, J = 9.0 Hz, J = 6.8 Hz, J = 1.4 Hz, 1H, CHAr), 7.03–6.95 (m, 2H, CHAr), 6.79 (dd, J = 7.9 Hz, J = 1.9 Hz, 1H, CHAr), 6.62 (td, J = 6.7 Hz, J = 1.2 Hz, 1H, CHAr), 6.56 (dd, J = 7.8 Hz, J = 1.9 Hz, 1H, CHAr), 6.45 (dd, J = 7.8 Hz, J = 1.9 Hz, 1H, CHAr), 6.34 (d, J = 7.7 Hz, 1H, CHAr), 6.11 (ddd, J = 15.7 Hz, J = 7.8 Hz, J = 1.8 Hz, 2H, CHAr), 5.52 (s, 1H, NH), 5.10 (d, J = 1.8 Hz, 1H, CHAr), 3.82 (s, 3H, OCH3), 3.21–3.03 (m, 3H, CH2‑PCP), 2.93–2.74 (m, 4H, CH2‑PCP), 2.65–2.51 (m, 1H, CH2‑PCP).
DOI: 10.14272/ucynbezqqpmtad-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)29-30(33-19-3-2-4-28(33)32-29)31-27-20-23-10-9-21-5-7-22(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/dlpqszhksnbibg-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C27H29N3/c1-27(2,3)25-26(30-17-5-4-6-24(30)29-25)28-23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,28H,11-13,15H2,1-3H3

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

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

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/dlpqszhksnbibg-uhfffaoysa-n/chmo0000726
title: high resolution fast-atom bombardment mass spectrometry (HRFABMS) ()
title: InChI=1S/C27H29N3/c1-27(2,3)25-26(30-17-5-4-6-24(30)29-25)28-23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,28H,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, 396.2441.
DOI: 10.14272/dlpqszhksnbibg-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C27H29N3/c1-27(2,3)25-26(30-17-5-4-6-24(30)29-25)28-23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,28H,11-13,15H2,1-3H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3364 (w), 2959 (w), 2928 (m), 2850 (w), 1632 (w), 1601 (w), 1567 (s), 1545 (m), 1499 (vs), 1480 (w), 1425 (m), 1411 (s), 1395 (w), 1347 (vs), 1285 (w), 1271 (s), 1230 (m), 1191 (m), 1167 (w), 928 (w), 875 (w), 823 (w), 796 (s), 755 (vs), 738 (vs), 715 (vs), 654 (s), 588 (m), 513 (m), 412 (s) cm–1.
DOI: 10.14272/dlpqszhksnbibg-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C27H29N3/c1-27(2,3)25-26(30-17-5-4-6-24(30)29-25)28-23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,28H,11-13,15H2,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3) δ [ppm] = 149.3 (CAr), 145.1 (CAr) 142.0 (CAr), 141.3 (CAr), 139.4 (CAr), 139.1 (CAr), 135.9 (CHAr), 133.4 (2C, CHAr), 133.0 (2C, CHAr), 131.8 (CHAr), 128.3 (CHAr), 124.3 (CHAr), 123.9 (CHAr), 123.5 (CAr), 122.3 (CHAr), 119.3 (CHAr), 119.0 (CAr) 117.5 (CHAr), 111.6 (CHAr), 35.5 (CH2‑PCP), 35.2 (CH2‑PCP), 34.3 (CH2‑PCP), 33.1 (C(CH3)3), 31.5 (CH2‑PCP), 30.3 (3C, CH3).
DOI: 10.14272/dlpqszhksnbibg-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C27H29N3/c1-27(2,3)25-26(30-17-5-4-6-24(30)29-25)28-23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,28H,11-13,15H2,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3) δ [ppm] = 7.98 (s, 1H, CHAr), 7.61–7.51 (m, 1H, CHAr), 7.22 (dd, J = 7.9 Hz, J = 1.9 Hz, 1H, CHAr), 7.19–7.11 (m, 1H, CHAr), 6.74 (s, 1H, CHAr), 6.67 (dd, J = 7.8 Hz, J = 1.9 Hz, 1H, CHAr), 6.56 (dd, J = 7.8 Hz, J = 1.9 Hz, 1H, CHAr), 6.40 (dd, J = 7.9 Hz, J = 1.9 Hz, 1H, CHAr), 6.35 (d, J = 7.7 Hz, 1H, CHAr), 6.13 (dd, J = 7.7 Hz, J = 1.8 Hz, 1H, CHAr), 5.16 (s, 1H, NH), 5.11 (s, 1H, CHAr), 3.25–3.11 (m, 3H, CH2‑PCP), 3.02–2.84 (m, 4H, CH2‑PCP), 2.68–2.51 (m, 1H, CH2‑PCP), 1.40 (s, 9H, CH3).
DOI: 10.14272/dlpqszhksnbibg-uhfffaoysa-n.1
title: N-(1,4(1,4)-Dibenzenacyclohexaphane-12-yl)-2-(tert-butyl)imidazo[1,2-a]pyridin-3-amine
title: InChI=1S/C27H29N3/c1-27(2,3)25-26(30-17-5-4-6-24(30)29-25)28-23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,28H,11-13,15H2,1-3H3

description: This dataset contains experimental data from a sample (InChI=1S/C27H29N3/c1-27(2,3)25-26(30-17-5-4-6-24(30)29-25)28-23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,28H,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) 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/dlpqszhksnbibg-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C27H29N3/c1-27(2,3)25-26(30-17-5-4-6-24(30)29-25)28-23-18-21-12-11-19-7-9-20(10-8-19)13-15-22(23)16-14-21/h4-10,14,16-18,28H,11-13,15H2,1-3H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 397 (29), 396 [M + H]+ (100), 395 [M]+ (83), 394 (12), 292 (8), 234 (5), 161 (14), 154 (8), 136 (5), 105 (21).
DOI: 10.25646/10035
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/lrhqvsjdopycor-uhfffaoysa-m
title: C47H45ClN3PPd
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: This dataset contains experimental data from a sample (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). 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/lrhqvsjdopycor-uhfffaoysa-m/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
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 fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 823 [M + H]+ (19), 792 (25), 791 (23), 790 (47), 789 (35), 788 (78), 787 (45), 786 (26), 731 (24), 664 (30), 663 (69), 662 (40), 648 (22), 647 (48), 563 (20), 561 (20), 530 (28), 529 (33), 528 (51), 527 (53), 526 (71), 525 (69), 524 (55), 523 (28), 442 (20), 441 (38), 422 (41), 421 (52), 420 (100), 419 (28), 418 (37), 417 (21), 416 (19), 339 (23), 338 (26), 336 (30), 323 (20), 317 (20), 316 (22), 314 (24), 312 (22), 311 (50), 309 (25), 307 (22), 263 (26), 262 (26), 246 (19), 235 (21), 234 (41), 233 (27), 232 (25), 219 (40), 217 (19), 208 (21), 207 (38), 205 (20), 191 (24), 183 (25), 155 (27), 154 (79), 147 (42), 138 (24), 137 (28), 136 (37), 131 (25), 129 (21), 117 (19), 115 (24), 107 (23), 105 (30), 95 (25), 91 (39).
DOI: 10.14272/lrhqvsjdopycor-uhfffaoysa-m/chmo0000726
title: high resolution fast-atom bombardment mass spectrometry (HRFABMS) ()
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 high resolution fast-atom bombardment mass spectrometry (HRFABMS) HRMS‑FAB (m/z): [M + H]+ calcd. for C47H45N335ClP106Pd, 823.2069; found, 823.2070.
DOI: 10.14272/lrhqvsjdopycor-uhfffaoysa-m/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C 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 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3) δ [ppm] = 162.7 (d, J = 6.4 Hz, Cq), 145.2 (d, J = 6.8 Hz, Cq), 144.8 (d, J = 2.7 Hz, Cq), 143.8 (d, J = 6.0 Hz, 3C, Cq), 141.0 (Cq), 140.0 (Cq), 138.4 (Cq), 135.5 (d, J = 11.1 Hz, 6C, CHAr), 134.5 (Cq), 133.6 (CHAr), 132.6 (d, J = 2.7 Hz, Cq), 132.6 (CHAr), 132.2 (d, J = 5.8 Hz, CHAr), 132.1 (CHAr), 131.0 (CHAr), 130.0 (d, J = 2.3 Hz, 3C, CHAr), 129.8 (CHAr), 127.6 (d, J = 10.6 Hz, 6C, CHAr), 126.0 (CHAr), 122.6 (CHAr), 121.6 (Cq), 118.7 (CHAr), 113.1 (CHAr), 55.3 (CH), 41.7 (d, J = 9.4 Hz, CH2‑PCP), 36.4 (CH2‑PCP), 35.1 (CH2‑PCP), 35.0 (CH2‑PCP), 33.6 (CH2), 33.3 (CH2), 25.9 (CH2), 24.5 (2C, CH2).
DOI: 10.14272/lrhqvsjdopycor-uhfffaoysa-m/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
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 attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3278 (w), 3053 (w), 2922 (s), 2850 (m), 1632 (w), 1589 (w), 1499 (m), 1480 (w), 1434 (s), 1363 (w), 1349 (w), 1203 (w), 1188 (w), 1094 (m), 905 (w), 741 (vs), 691 (vs), 530 (vs), 511 (vs), 496 (s), 453 (w), 422 (w) cm–1.
DOI: 10.14272/lrhqvsjdopycor-uhfffaoysa-m/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
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--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/lrhqvsjdopycor-uhfffaoysa-m/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
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--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/lrhqvsjdopycor-uhfffaoysa-m/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
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--13C heteronuclear single quantum coherence (1H-13C HSQC)