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4H-1,2,4-triazole-3-thiol, 5-(1,3-benzodioxol-5-yl)-4-(3-pyridinyl)-

View entire compound with spectra: 1 NMR

4H-1,2,4-triazole-3-thiol, 5-(1,3-benzodioxol-5-yl)-4-(3-pyridinyl)-
SpectraBase Compound ID 3T33h7e0562
InChI InChI=1S/C14H10N4O2S/c21-14-17-16-13(18(14)10-2-1-5-15-7-10)9-3-4-11-12(6-9)20-8-19-11/h1-7H,8H2,(H,17,21)
InChIKey RUCMXBIEYWWOJP-UHFFFAOYSA-N
Mol Weight 298.32 g/mol
Molecular Formula C14H10N4O2S
Exact Mass 298.052447 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JlGKvdjhfZV
Name 4H-1,2,4-triazole-3-thiol, 5-(1,3-benzodioxol-5-yl)-4-(3-pyridinyl)-
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/C14H10N4O2S/c21-14-17-16-13(18(14)10-2-1-5-15-7-10)9-3-4-11-12(6-9)20-8-19-11/h1-7H,8H2,(H,17,21)
InChIKey RUCMXBIEYWWOJP-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6015
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: F26740; Labnumber: NNOBK-9118