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1,3,4-Oxadiazolium, 5-mercapto-2-methyl-3-phenyl-, hydroxide, inner salt

View entire compound with spectra: 1 MS (GC)

1,3,4-Oxadiazolium, 5-mercapto-2-methyl-3-phenyl-, hydroxide, inner salt
SpectraBase Compound ID Gl4FSF21rdh
InChI InChI=1S/C9H8N2OS/c1-7-11(10-9(13)12-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey NBXLAOWGQSFXGD-UHFFFAOYSA-N
Mol Weight 192.24 g/mol
Molecular Formula C9H8N2OS
Exact Mass 192.035734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GIV4lpHFxJ
Name 1,3,4-Oxadiazolium, 5-mercapto-2-methyl-3-phenyl-, hydroxide, inner salt
CAS Registry Number 40727-07-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2OS
InChI InChI=1S/C9H8N2OS/c1-7-11(10-9(13)12-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey NBXLAOWGQSFXGD-UHFFFAOYSA-N
Molecular Weight 192.236 g/mol
SMILES Cc1[n+](-c2ccccc2)nc(o1)[S-]
SPLASH splash10-0a6r-8900000000-71b53daf7a41f66192c9
Source of Spectrum O7-0-203-0
Synonyms 2-Methyl-3-phenyl-1,3,4-oxadiazol-3-ium-5-thiolate 2-Methyl-3-phenyl-1,3,4-oxadiazol-3-ium-5-ylsulfide Anhydro-5-mercapto-2-methyl-3-phenyl-1,3,4-oxadiazolium hydroxide
Wiley ID 1188037