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

View entire compound with spectra: 1 NMR

4H-1,2,4-triazole-3-thiol, 5-(1,3-benzodioxol-5-yl)-4-methyl-
SpectraBase Compound ID DvSz5OM6UA5
InChI InChI=1S/C10H9N3O2S/c1-13-9(11-12-10(13)16)6-2-3-7-8(4-6)15-5-14-7/h2-4H,5H2,1H3,(H,12,16)
InChIKey LZMYGUFGSQKVLM-UHFFFAOYSA-N
Mol Weight 235.26 g/mol
Molecular Formula C10H9N3O2S
Exact Mass 235.041548 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I5YC4Vc5x7
Name 4H-1,2,4-triazole-3-thiol, 5-(1,3-benzodioxol-5-yl)-4-methyl-
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/C10H9N3O2S/c1-13-9(11-12-10(13)16)6-2-3-7-8(4-6)15-5-14-7/h2-4H,5H2,1H3,(H,12,16)
InChIKey LZMYGUFGSQKVLM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5929
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: NMR/18247033; Labnumber: OBK-8395