Debug Info

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

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zzxHKFnyjc
Name 1,2,3-Oxadiazolium, 5-mercapto-4-methyl-3-phenyl-, hydroxide, inner salt
CAS Registry Number 71331-45-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2OS
InChI InChI=1S/C9H8N2OS/c1-7-9(13)12-10-11(7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey UTOWGNAVVSZUTK-UHFFFAOYSA-N
Molecular Weight 192.236 g/mol
SMILES c1(on[n+](c1C)-c1ccccc1)[S-]
SPLASH splash10-016u-2900000000-600d753b933139ba5310
Source of Spectrum KC-1979-957-0
Synonyms 4-Methyl-3-phenyl-1,2,3-oxadiazol-3-ium-5-thiolate 4-Methyl-3-phenyl-1,2,3-oxadiazol-3-ium-5-ylsulfide 4-Methyl-3-phenyl-1,2,3-oxadiazolium-5-thiolate
Wiley ID 1188047
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