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5-(1H-1,2,4-Triazol-3-ylthio)-3-methylbenzen-1,2-diol
SpectraBase Compound ID GbpeoJzqOQx
InChI InChI=1S/C9H9N3O2S/c1-5-2-6(3-7(13)8(5)14)15-9-10-4-11-12-9/h2-4,13-14H,1H3,(H,10,11,12)
InChIKey BGRLQFXRCCBDBG-UHFFFAOYSA-N
Mol Weight 223.25 g/mol
Molecular Formula C9H9N3O2S
Exact Mass 223.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BW3O47EDe4G
Name 5-(1H-1,2,4-Triazol-3-ylthio)-3-methylbenzen-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3O2S
InChI InChI=1S/C9H9N3O2S/c1-5-2-6(3-7(13)8(5)14)15-9-10-4-11-12-9/h2-4,13-14H,1H3,(H,10,11,12)
InChIKey BGRLQFXRCCBDBG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20359
Molecular Weight 223.250 g/mol
SMILES [nH]1cnc(Sc2cc(c(c(c2)C)O)O)n1
SPLASH splash10-0fkc-6950000000-dde808324a314ee1d686
Source of Spectrum HAC-18-649-4b
Synonyms 5-((1H-1,2,4-triazol-3-yl)thio)-3-methylbenzene-1,2-diol
Wiley ID 1776059