cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.6147688
title: Dataset of steady magnetospheric convection events in Earth's magnetosphere from 1997 to 2013

description: This dataset is a list of steady magnetospheric convection (SMC) events occurring in Earth's magnetosphere between 1997 and 2013. The criteria and method of SMC selection are documented in the following two papers: Kissinger et al. (2011), "Steady magnetospheric convection and stream interfaces: Relationship over a solar cycle", JGR, doi:10.1029/2010JA015763.<br> <br> Kissinger et al. (2012), "Diversion of plasma due to high pressure in the inner magnetosphere during steady magnetospheric convection", JGR, doi:10.1029/2012JA017579. The filename "smc_list_1997_2013.csv" is a list of every SMC selected during this time period. This is a comma-separated file with two columns: the first column is the timestamp indicating the start of the SMC event, and the second column is the timestamp indicating the end of the SMC event. The filename "smc_list_1997_2013_longerthan5hrs.csv" is a subset of the first list, filtered to only SMCs with a duration longer than 5 hours. The schema of this file matches the first one, with an additional third column showing the duration of the SMC in hours.
DOI: 10.5281/zenodo.6147716
title: Large Radius Tracking Events in pp collisions with a Generic detector

description: This dataset is generated with the ACTS framework, using a generic detector description (similar to the one in the TrackML challenge) and a constant magnetic field of 2 Tesla in the beam direction (i.e. z-axis). The event simulation was done via the Fastras and the digitization was done via smearing functions, which is configured with the default configuration file in ACTS. We did not use an exact release when producing the dataset, but we believe release v15.0.0 should reproduce the dataset. We processed the original outputs from ACTS so that the dataset is machine-learning friendly. Four different physics processes are generated with the Pythia8 generator at 13 TeV of proton-proton collisions without the presence of addition collision (i.e. no pileup events). Heavy Neural Lepton with the neutral lepton mass of 15 GeV and a lifetime of 100 mm Heavy Neural Lepton with the neutral lepton mass of 10 GeV and a lifetime of 100 mm. Heavy Neural Lepton with the neutral lepton mass of 15 GeV and a lifetime of 200 mm. ttbar events The heavy neural lepton generated along with a neutrino through a virtual W boson is forced to decay to two muons and a muon neutrino. The dataset is saved as the torch dataset. One can access it via the following code snippet. <pre><code class="language-python">&gt;&gt;&gt; import numpy as np &gt;&gt;&gt; arrays = np.load("ttbar_PileUp000_10K/100") &gt;&gt;&gt; [print(key,) for key in arrays.keys()] hid layerless_true_edges layers pid x</code></pre> <em>hid</em> is the spacepoint id <em>layerless_true_edges</em> is a table of the true-level edges where edges connect spacepoints coming from the same track. <em>layers</em> is the layer id where the spacepoint is recorded <em>pid</em> is a table of particle IDs each spacepoint associated with. hid is a table of spacepoint IDs, <em>x</em> is a table of spacepoints with dimension of [number of spacepoints, number of spacepoint features], the spacepoint features are their 3D global positions. The first Version 1.0 saved the dataset in torch DataSet format which requires torch 1.7.1 and PyG 1.7.1 in order to read those files. The version 1.1 saved the dataset in numpy file format.
DOI: 10.14272/acofzhhylnxzfv-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C20H28N4/c1-23(2)20(24(3)4)22-18-12-8-11-16-13-14-17(21-19(16)18)15-9-6-5-7-10-15/h8,11-15H,5-7,9-10H2,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.95 (d, J = 8.5 Hz, 1H), 7.33 (t, J = 7.4 Hz, J = 8.0 Hz, 1H), 7.20 (dd, J = 1.5 Hz, J = 8.1 Hz, 1H), 7.17 (d, J = 8.5 Hz, 1H), 7.15 (dd, J = 1.5 Hz, J = 7.4 Hz, 1H), 2.78 (tt, J = 3.5 Hz, J = 11.8 Hz, 1H), 2.69 (s, 12H), 2.00–1.96 (m, 2H), 1.85 (dt, J = 3.4 Hz, J = 12.8 Hz, 2H), 1.77 (dtt, J = 1.5 Hz, J = 3.2 Hz, J = 12.7 Hz, 1H), 1.58 (qd, J = 3.2 Hz, J = 12.6 Hz, 2H), 1.42 (qt, J = 3.3 Hz, J = 12.7 Hz, 2H), 1.26 (qt, J = 3.4 Hz, J = 12.7 Hz, 1H).
DOI: 10.14272/acofzhhylnxzfv-uhfffaoysa-n/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) ()
title: InChI=1S/C20H28N4/c1-23(2)20(24(3)4)22-18-12-8-11-16-13-14-17(21-19(16)18)15-9-6-5-7-10-15/h8,11-15H,5-7,9-10H2,1-4H3

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) HRMS (ESI+, MeOH): m/z (found) = 325.23816 (100 %), 326.24142 (22 %), 327.24466 (2 %); m/z (calc.) = 325.23867 (100 %, 12C201H2914N4+), 326.24203 (22 %, 12C1913C1H2914N4+), 327.24538 (2 %, 12C1813C21H2914N4+).
DOI: 10.14272/acofzhhylnxzfv-uhfffaoysa-n.1
title: 2-(2-cyclohexylquinolin-8-yl)-1,1,3,3-tetramethylguanidine
title: InChI=1S/C20H28N4/c1-23(2)20(24(3)4)22-18-12-8-11-16-13-14-17(21-19(16)18)15-9-6-5-7-10-15/h8,11-15H,5-7,9-10H2,1-4H3

description: This dataset contains experimental data from a sample (InChI=1S/C20H28N4/c1-23(2)20(24(3)4)22-18-12-8-11-16-13-14-17(21-19(16)18)15-9-6-5-7-10-15/h8,11-15H,5-7,9-10H2,1-4H3). The datasets from the following experiments are available: 13C nuclear magnetic resonance spectroscopy (13C NMR) attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/acofzhhylnxzfv-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C20H28N4/c1-23(2)20(24(3)4)22-18-12-8-11-16-13-14-17(21-19(16)18)15-9-6-5-7-10-15/h8,11-15H,5-7,9-10H2,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 163.9, 162.5, 149.8, 141.8, 136.2, 127.8, 126.5, 120.3, 119.5, 118.5, 47.3, 39.6 (4C), 32.7 (2C), 26.8 (2C), 26.5.
DOI: 10.14272/acofzhhylnxzfv-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C20H28N4/c1-23(2)20(24(3)4)22-18-12-8-11-16-13-14-17(21-19(16)18)15-9-6-5-7-10-15/h8,11-15H,5-7,9-10H2,1-4H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3046 (w), 2997 (w), 2920 (s), 2905 (m), 2882 (m), 2848 (s), 2810 (w), 2786 (w), 1610 (vs), 1597 (vs), 1582 (vs), 1552 (vs), 1495 (vs), 1461 (m), 1446 (s), 1433 (s), 1426 (s), 1421 (s), 1408 (w), 1373 (vs), 1346 (m), 1305 (m), 1263 (w), 1236 (m), 1221 (m), 1193 (w), 1164 (w), 1138 (vs), 1105 (w), 1083 (w), 1058 (m), 1029 (w), 1010 (vs), 964 (w), 952 (w), 929 (w), 919 (m), 891 (w), 881 (m), 874 (w), 847 (w), 830 (vs), 812 (s), 787 (w), 773 (w), 755 (s), 743 (vs), 712 (m), 675 (vs), 629 (w), 571 (w), 564 (w), 558 (w), 552 (w), 533 (w), 510 (w), 487 (w), 481 (w), 473 (w), 466 (w), 456 (m), 447 (m), 420 (w) cm–1.
DOI: 10.5281/zenodo.5708237
title: Data Sets and plotting scripts supporting Kirsten et al. 2022, DOI: 10.1038/s41586-021-04354-w

description: Data Sets and plotting scripts supporting Kirsten et al. 2022, DOI: 10.1038/s41586-021-04354-w
DOI: 10.5281/zenodo.5708236
title: Data Sets and plotting scripts supporting Kirsten et al. 2022, DOI: 10.1038/s41586-021-04354-w

description: Data Sets and plotting scripts supporting Kirsten et al. 2022, DOI: 10.1038/s41586-021-04354-w
DOI: 10.5281/zenodo.6137003
title: Factors determining regional climate change competitiveness

description: Regional climate change competitiveness is the comprehensive ability of a region to achieve and sustain the competitive advantage and attain economic and social development under climate change constraints when compared with other regions in the process of development. This database contains the raw data illustrating the EU region’s (NUTS2) impact on climate change and the effects of the region's and sector's climate change adaptatove measures.
description: This study was funded by the National Science Centre, Poland, grant No. 2019/35/B/HS5/01548.
DOI: 10.5281/zenodo.6137002
title: Factors determining regional climate change competitiveness

description: Regional climate change competitiveness is the comprehensive ability of a region to achieve and sustain the competitive advantage and attain economic and social development under climate change constraints when compared with other regions in the process of development. This database contains the raw data illustrating the EU region’s (NUTS2) impact on climate change and the effects of the region's and sector's climate change adaptatove measures.
description: This study was funded by the National Science Centre, Poland, grant No. 2019/35/B/HS5/01548.
DOI: 10.14272/brngtxitiqiebr-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-cyclohexylquinolin-8-amine)
title: InChI=1S/C15H18N2/c16-13-8-4-7-12-9-10-14(17-15(12)13)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6,16H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 163.9, 143.7, 137.6, 136.4, 127.4, 126.5, 120.4, 115.9, 110.1, 47.0, 33.0 (2C), 26.7 (2C), 26.4.
DOI: 10.14272/brngtxitiqiebr-uhfffaoysa-n/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) (2-cyclohexylquinolin-8-amine)
title: InChI=1S/C15H18N2/c16-13-8-4-7-12-9-10-14(17-15(12)13)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6,16H2

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) HRMS (ESI+, MeOH): m/z (found) = 227.15411 (100 %), 228.15739 (16 %), 229.16069 (1 %); m/z (calc.) = 227.15428 (100 %, 12C151H1914N2+), 228.15763 (16 %, 12C1413C1H1914N2+), 229.16098 (1 %, 12C1313C21H1914N2+).
DOI: 10.14272/brngtxitiqiebr-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-cyclohexylquinolin-8-amine)
title: InChI=1S/C15H18N2/c16-13-8-4-7-12-9-10-14(17-15(12)13)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6,16H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.98 (d, J = 8.5 Hz, 1H), 7.28 (d, J = 8.6 Hz, 1H), 7.26 (d, J = 7.8 Hz, 1H), 7.11 (dd, J = 1.3 Hz, J = 8.1 Hz, 1H), 6.90 (dd, J = 1.3 Hz, J = 7.5 Hz, 1H), 5.10 (s, 2H), 2.90 (t, J = 12.1 Hz, 1H), 2.07–2.01 (m, 2H), 1.90 (dt, J = 3.3 Hz, J = 12.7 Hz, 2H), 1.79 (dtt, J = 1.5 Hz, J = 3.2 Hz, J = 12.7 Hz, 1H), 1.66 (qd, J = 3.3 Hz, J = 12.5 Hz, 2H), 1.47 (qt, J = 3.3 Hz, J = 12.7 Hz, 2H), 1.32 (qt, J = 3.4 Hz, J = 12.6 Hz, 1H).
DOI: 10.14272/brngtxitiqiebr-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) (2-cyclohexylquinolin-8-amine)
title: InChI=1S/C15H18N2/c16-13-8-4-7-12-9-10-14(17-15(12)13)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6,16H2

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3441 (w), 3317 (w), 3042 (w), 2923 (vs), 2850 (s), 1618 (m), 1591 (vs), 1560 (w), 1503 (s), 1474 (m), 1446 (m), 1433 (m), 1381 (s), 1344 (w), 1334 (w), 1301 (vw), 1277 (w), 1261 (vw), 1242 (w), 1195 (w), 1173 (w), 1136 (w), 1125 (w), 1079 (w), 1035 (w), 1008 (vw), 968 (vw), 927 (w), 890 (w), 884 (w), 846 (w), 829 (vs), 805 (w), 739 (vs), 710 (w), 622 (w), 581 (w), 541 (w), 529 (w), 498 (w), 479 (w), 474 (w), 465 (w), 458 (w), 455 (w), 442 (w), 421 (w), 419 (w) cm–1.
DOI: 10.14272/brngtxitiqiebr-uhfffaoysa-n.1
title: 2-cyclohexylquinolin-8-amine
title: InChI=1S/C15H18N2/c16-13-8-4-7-12-9-10-14(17-15(12)13)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6,16H2

description: This dataset contains experimental data from a sample (2-cyclohexylquinolin-8-amine, InChI=1S/C15H18N2/c16-13-8-4-7-12-9-10-14(17-15(12)13)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6,16H2). The datasets from the following experiments are available: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/jhiaowgcgnmqka-uhfffaoysa-n.1
title: 2-methylquinolin-8-amine
title: InChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3

description: This dataset contains experimental data from a sample (2-methylquinolin-8-amine, InChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3). 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) high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.14272/jhiaowgcgnmqka-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) (2-methylquinolin-8-amine)
title: InChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3469 (m), 3386 (m), 3342 (m), 3271 (w), 3051 (w), 2917 (w), 1616 (s), 1595 (vs), 1573 (s), 1564 (s), 1507 (vs), 1476 (vs), 1431 (vs), 1373 (s), 1344 (s), 1324 (m), 1285 (m), 1274 (m), 1243 (m), 1180 (w), 1138 (s), 1083 (m), 1033 (m), 973 (w), 910 (w), 866 (w), 829 (vs), 795 (s), 756 (s), 745 (vs), 718 (s), 693 (s), 658 (m), 577 (m), 556 (m), 514 (s), 493 (m), 434 (m), 420 (m), 403 (w) cm–1.
DOI: 10.14272/jhiaowgcgnmqka-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-methylquinolin-8-amine)
title: InChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.95 (d, J = 8.4 Hz, 1H), 7.26 (t, J = 7.8 Hz, 1H), 7.24 (d, J = 8.4 Hz, 1H), 7.11 (dd, J = 1.3 Hz, J = 8.1 Hz, 1H), 6.90 (dd, J = 1.3 Hz, J = 7.5 Hz, 1H), 5.01 (s, 2H), 2.72 (s, 3H).
DOI: 10.14272/jhiaowgcgnmqka-uhfffaoysa-n/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) (2-methylquinolin-8-amine)
title: InChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) HRMS (ESI+, MeOH): m/z (found) = 159.09148 (100 %), 160.09480 (9 %); m/z (calc.) = 159.09167 (100 %, 12C101H1114N2+), 160.09503 (11 %, 12C913C1H1114N2+).
DOI: 10.14272/jhiaowgcgnmqka-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-methylquinolin-8-amine)
title: InChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 156.3, 143.5, 137.9, 136.3, 127.0, 126.5, 122.2, 116.0, 110.3, 25.3.
DOI: 10.6084/m9.figshare.13426874.v1
title: MODIS proportional summaries

description: MODIS proportional summaries from a 2500m radius.
DOI: 10.5517/ccdc.csd.cc28tzvy
title: CCDC 2110351: Experimental Crystal Structure Determination

description: Related Article: Toshio Naito, Hayato Takeda, Yusuke Matsuzawa, Megumi Kurihara, Akio Yamada, Yusuke Nakamura, Takashi Yamamoto|2022|Mat.Advs.|3|1506|doi:10.1039/D1MA00933H
DOI: 10.5517/ccdc.csd.cc28tzwz
title: CCDC 2110352: Experimental Crystal Structure Determination

description: Related Article: Toshio Naito, Hayato Takeda, Yusuke Matsuzawa, Megumi Kurihara, Akio Yamada, Yusuke Nakamura, Takashi Yamamoto|2022|Mat.Advs.|3|1506|doi:10.1039/D1MA00933H
DOI: 10.5517/ccdc.csd.cc28z48p
title: CCDC 2114332: Experimental Crystal Structure Determination

description: Related Article: Lichun Xu, Zhongxiao Ma, Xi Hu, Xin Zhang, Shulin Gao, Deqiang Liang, Baoling Wang, Weili Li, Yanni Li|2022|Org.Biomol.Chem.|20|1013|doi:10.1039/D1OB02379A
DOI: 10.5517/ccdc.csd.cc28z73m
title: CCDC 2114420: Experimental Crystal Structure Determination

description: Related Article: Toshio Naito, Hayato Takeda, Yusuke Matsuzawa, Megumi Kurihara, Akio Yamada, Yusuke Nakamura, Takashi Yamamoto|2022|Mat.Advs.|3|1506|doi:10.1039/D1MA00933H
DOI: 10.5517/ccdc.csd.cc28z74n
title: CCDC 2114421: Experimental Crystal Structure Determination

description: Related Article: Toshio Naito, Hayato Takeda, Yusuke Matsuzawa, Megumi Kurihara, Akio Yamada, Yusuke Nakamura, Takashi Yamamoto|2022|Mat.Advs.|3|1506|doi:10.1039/D1MA00933H
DOI: 10.5517/ccdc.csd.cc28z75p
title: CCDC 2114422: Experimental Crystal Structure Determination

description: Related Article: Toshio Naito, Hayato Takeda, Yusuke Matsuzawa, Megumi Kurihara, Akio Yamada, Yusuke Nakamura, Takashi Yamamoto|2022|Mat.Advs.|3|1506|doi:10.1039/D1MA00933H
DOI: 10.5517/ccdc.csd.cc290l20
title: CCDC 2115721: Experimental Crystal Structure Determination

description: Related Article: Robert M. Jacobberger, Yunfan Qiu, Malik L. Williams, Matthew D. Krzyaniak, Michael R. Wasielewski|2022|J.Am.Chem.Soc.|144|2276|doi:10.1021/jacs.1c12414
DOI: 10.5517/ccdc.csd.cc2937pc
title: CCDC 2118282: Experimental Crystal Structure Determination

description: Related Article: Masato Tsuda, Taiki Morita, Hiroyuki Nakamura|2022|Chem.Commun.|58|1942|doi:10.1039/D1CC07002A
DOI: 10.5517/ccdc.csd.cc29ch8g
title: CCDC 2126205: Experimental Crystal Structure Determination

description: Related Article: Toshio Naito, Hayato Takeda, Yusuke Matsuzawa, Megumi Kurihara, Akio Yamada, Yusuke Nakamura, Takashi Yamamoto|2022|Mat.Advs.|3|1506|doi:10.1039/D1MA00933H
DOI: 10.5517/ccdc.csd.cc29ch9h
title: CCDC 2126206: Experimental Crystal Structure Determination

description: Related Article: Toshio Naito, Hayato Takeda, Yusuke Matsuzawa, Megumi Kurihara, Akio Yamada, Yusuke Nakamura, Takashi Yamamoto|2022|Mat.Advs.|3|1506|doi:10.1039/D1MA00933H
DOI: 10.5517/ccdc.csd.cc28ctq6
title: CCDC 2096738: Experimental Crystal Structure Determination

description: Related Article: Abhimanyu Jana, Abhishek Aher, Paula Brandao, Pradip Bera, Saphy Sharda, Ujjwal Phadikar, Sunil Kumar Manna, Ajit Kumar Mahapatra, Pulakesh Bera|2022|Dalton Trans.|51|2346|doi:10.1039/D1DT02825A
DOI: 10.14272/ysuudyjlpdaesc-uhfffaoysa-n.1
title: 2-cyclohexyl-8-nitroquinoline
title: InChI=1S/C15H16N2O2/c18-17(19)14-8-4-7-12-9-10-13(16-15(12)14)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2

description: This dataset contains experimental data from a sample (2-cyclohexyl-8-nitroquinoline, InChI=1S/C15H16N2O2/c18-17(19)14-8-4-7-12-9-10-13(16-15(12)14)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2). The datasets from the following experiments are available: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ysuudyjlpdaesc-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-cyclohexyl-8-nitroquinoline)
title: InChI=1S/C15H16N2O2/c18-17(19)14-8-4-7-12-9-10-13(16-15(12)14)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.13 (d, J = 8.6 Hz, 1H), 7.96–7.93 (m, 2H), 7.51 (dd, J = 7.5 Hz, J = 8.2 Hz, 1H), 7.44 (d, J = 8.6 Hz, 1H), 2.92 (tt, J = 3.5 Hz, J = 11.8 Hz, 1H), 2.04–1.98 (m, 2H), 1.88 (dt, J = 3.3 Hz, J = 12.8 Hz, 2H), 1.76 (dtt, J = 1.5 Hz, J = 3.2 Hz, J = 12.6 Hz, 1H), 1.63 (qd, J = 3.0 Hz, J = 12.5 Hz, 2H), 1.44 (qt, J = 3.2 Hz, J = 12.5 Hz, 2H), 1.31 (qt, J = 3.2 Hz, J = 12.6 Hz, 1H).
DOI: 10.14272/ysuudyjlpdaesc-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-cyclohexyl-8-nitroquinoline)
title: InChI=1S/C15H16N2O2/c18-17(19)14-8-4-7-12-9-10-13(16-15(12)14)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 169.5, 148.5, 139.2, 136.0, 131.4, 127.9, 124.2, 123.1, 122.1, 47.2, 32.5 (2C), 26.5 (2C), 26.1.
DOI: 10.14272/ysuudyjlpdaesc-uhfffaoysa-n/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) (2-cyclohexyl-8-nitroquinoline)
title: InChI=1S/C15H16N2O2/c18-17(19)14-8-4-7-12-9-10-13(16-15(12)14)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) HRMS (ESI+, MeOH): m/z (found) = 257.12821 (100 %), 258.13146 (16 %), 259.13470 (1 %); m/z (calc.) = 257.12845 (100 %, 12C151H1714N216O2+), 258.13181 (16 %, 12C1413C1H1714N216O2+), 259.13516 (1 %, 12C1313C21H1714N216O2+).
DOI: 10.14272/ysuudyjlpdaesc-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) (2-cyclohexyl-8-nitroquinoline)
title: InChI=1S/C15H16N2O2/c18-17(19)14-8-4-7-12-9-10-13(16-15(12)14)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 2944 (vs), 2929 (vs), 2915 (vs), 2900 (vs), 2881 (s), 2847 (vs), 1625 (s), 1599 (vs), 1594 (vs), 1563 (s), 1521 (vs), 1498 (vs), 1459 (s), 1453 (vs), 1445 (vs), 1430 (s), 1394 (vs), 1372 (vs), 1333 (s), 1313 (vs), 1299 (vs), 1268 (s), 1248 (s), 1227 (s), 1216 (s), 1209 (s), 1177 (vs), 1138 (vs), 1126 (s), 1059 (s), 1035 (s), 1008 (s), 995 (s), 960 (s), 927 (s), 888 (s), 877 (vs), 848 (vs), 839 (vs), 812 (s), 797 (vs), 752 (vs), 718 (vs), 712 (vs), 657 (vs), 610 (s), 565 (s), 506 (s), 485 (s), 418 (vs) cm–1.
DOI: 10.14272/ylbkxsdewvmgqe-uhfffaoysa-n.1
title: 2-tert-butyl-8-nitroquinoline
title: InChI=1S/C13H14N2O2/c1-13(2,3)11-8-7-9-5-4-6-10(15(16)17)12(9)14-11/h4-8H,1-3H3

description: This dataset contains experimental data from a sample (2-tert-butyl-8-nitroquinoline, InChI=1S/C13H14N2O2/c1-13(2,3)11-8-7-9-5-4-6-10(15(16)17)12(9)14-11/h4-8H,1-3H3). 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) high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.14272/ylbkxsdewvmgqe-uhfffaoysa-n/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) (2-tert-butyl-8-nitroquinoline)
title: InChI=1S/C13H14N2O2/c1-13(2,3)11-8-7-9-5-4-6-10(15(16)17)12(9)14-11/h4-8H,1-3H3

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) HRMS (ESI+, MeOH): m/z (found) = 231.11237 (100 %), 232.11563 (14 %), 233.11935 (1 %); m/z (calc.) = 231.11280 (100 %, 12C131H1514N216O2+), 232.11616 (14 %, 12C1213C1H1514N216O2+), 233.11951 (1 %, 12C1113C21H1514N216O2+).
DOI: 10.14272/ylbkxsdewvmgqe-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-tert-butyl-8-nitroquinoline)
title: InChI=1S/C13H14N2O2/c1-13(2,3)11-8-7-9-5-4-6-10(15(16)17)12(9)14-11/h4-8H,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 172.1, 148.6, 138.7, 135.9, 131.2, 127.5, 124.4, 123.1, 120.1, 38.9, 30.0 (3C).