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4-(1,3-benzodioxol-5-yl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl hydrosulfide

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4-(1,3-benzodioxol-5-yl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID LD92G8Ok8qB
InChI InChI=1S/C13H9N5O2S/c21-13-17-16-12(9-6-14-3-4-15-9)18(13)8-1-2-10-11(5-8)20-7-19-10/h1-6H,7H2,(H,17,21)
InChIKey GXONPQQVZAKFLZ-UHFFFAOYSA-N
Mol Weight 299.31 g/mol
Molecular Formula C13H9N5O2S
Exact Mass 299.047696 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fi6wG2Mnzdi
Name 4-(1,3-benzodioxol-5-yl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl hydrosulfide
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/C13H9N5O2S/c21-13-17-16-12(9-6-14-3-4-15-9)18(13)8-1-2-10-11(5-8)20-7-19-10/h1-6H,7H2,(H,17,21)
InChIKey GXONPQQVZAKFLZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24527
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: D47591; Labnumber: NCOBK-0528; SBI_ID: SBI-024531
Synonyms 4-(1,3-benzodioxol-5-yl)-5-(2-pyrazinyl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C