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4-(1H-1,2,4-Triazol-3-ylthio)-benzen-1,2-diol
SpectraBase Compound ID CdoZv6YG6Ek
InChI InChI=1S/C8H7N3O2S/c12-6-2-1-5(3-7(6)13)14-8-9-4-10-11-8/h1-4,12-13H,(H,9,10,11)
InChIKey MGHUAEBOGPARPW-UHFFFAOYSA-N
Mol Weight 209.22 g/mol
Molecular Formula C8H7N3O2S
Exact Mass 209.025898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fpKubPDE3B
Name 4-(1H-1,2,4-Triazol-3-ylthio)-benzen-1,2-diol
Alternate Name(s) 4-((1H-1,2,4-triazol-3-yl)thio)benzene-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N3O2S
InChI InChI=1S/C8H7N3O2S/c12-6-2-1-5(3-7(6)13)14-8-9-4-10-11-8/h1-4,12-13H,(H,9,10,11)
InChIKey MGHUAEBOGPARPW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20359
Molecular Weight 209.223 g/mol
SMILES [nH]1cnc(Sc2ccc(c(c2)O)O)n1
SPLASH splash10-0udl-5920000000-e17762a43a3ea63a7540
Source of Spectrum HAC-18-649-4a
Wiley ID 1776058