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

View entire compound with spectra: 1 MS (GC)

1,2,3-Oxadiazolium, 5-mercapto-3-methyl-4-phenyl-, hydroxide, inner salt
SpectraBase Compound ID 5SsqARqKVkO
InChI InChI=1S/C9H8N2OS/c1-11-8(9(13)12-10-11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey RIMXUWREALDGJZ-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 JK0ogwwojPT
Name 1,2,3-Oxadiazolium, 5-mercapto-3-methyl-4-phenyl-, hydroxide, inner salt
CAS Registry Number 71331-49-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2OS
InChI InChI=1S/C9H8N2OS/c1-11-8(9(13)12-10-11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey RIMXUWREALDGJZ-UHFFFAOYSA-N
Molecular Weight 192.236 g/mol
SMILES c1([n+](noc1[S-])C)-c1ccccc1
SPLASH splash10-014l-1900000000-4252d8c0c7e90c820ae1
Source of Spectrum KC-1979-957-0
Synonyms 3-Methyl-4-phenyl-1,2,3-oxadiazol-3-ium-5-thiolate 3-Methyl-4-phenyl-1,2,3-oxadiazol-3-ium-5-ylsulfide 3-Methyl-4-phenyl-1,2,3-oxadiazolium-5-thiolate
Wiley ID 1188046