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2-(ethylthio)-3-methyl-5-phenyl-1,3-thiazolium-4-olate

View entire compound with spectra: 1 MS (GC)

2-(ethylthio)-3-methyl-5-phenyl-1,3-thiazolium-4-olate
SpectraBase Compound ID GPkkkxVVTa1
InChI InChI=1S/C12H13NOS2/c1-3-15-12-13(2)11(14)10(16-12)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKey YGEGRNDELRSSBS-UHFFFAOYSA-N
Mol Weight 251.36 g/mol
Molecular Formula C12H13NOS2
Exact Mass 251.043856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5H9fOF9ByE
Name 2-(ethylthio)-3-methyl-5-phenyl-1,3-thiazolium-4-olate
Alternate Name(s) 2-(ethylsulfanyl)-3-methyl-5-phenyl-1,3-thiazol-3-ium-4-olate
CAS Registry Number 107960-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NOS2
InChI InChI=1S/C12H13NOS2/c1-3-15-12-13(2)11(14)10(16-12)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKey YGEGRNDELRSSBS-UHFFFAOYSA-N
Molecular Weight 251.362 g/mol
SMILES c1([n+](c(sc1-c1ccccc1)SCC)C)[O-]
SPLASH splash10-00di-6930000000-0320d04dda7aa1b42bcb
Source of Spectrum K-120-1021-15
Wiley ID 1254359