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4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(2-quinolinyl)-

View entire compound with spectra: 1 NMR

4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(2-quinolinyl)-
SpectraBase Compound ID 5O6EpBU9aXA
InChI InChI=1S/C19H14N4O2S/c26-19-22-21-18(15-7-6-13-3-1-2-4-14(13)20-15)23(19)10-12-5-8-16-17(9-12)25-11-24-16/h1-9H,10-11H2,(H,22,26)
InChIKey QCLWWLJGVMNSQD-UHFFFAOYSA-N
Mol Weight 362.41 g/mol
Molecular Formula C19H14N4O2S
Exact Mass 362.083747 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lfoj7ChdSYl
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(2-quinolinyl)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C19H14N4O2S/c26-19-22-21-18(15-7-6-13-3-1-2-4-14(13)20-15)23(19)10-12-5-8-16-17(9-12)25-11-24-16/h1-9H,10-11H2,(H,22,26)
InChIKey QCLWWLJGVMNSQD-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6038
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F26764; Labnumber: NNOBK-9355