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Butanoic acid, 4-(methylthio)-2-oxo-
SpectraBase Compound ID 8dnt4K6Ym95
InChI InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey SXFSQZDSUWACKX-UHFFFAOYSA-N
Mol Weight 148.18 g/mol
Molecular Formula C5H8O3S
Exact Mass 148.019415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7e6RpwPOdth
Name Butanoic acid, 4-(methylthio)-2-oxo-
CAS Registry Number 583-92-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8O3S
InChI InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey SXFSQZDSUWACKX-UHFFFAOYSA-N
Molecular Weight 148.176 g/mol
SMILES OC(C(CCSC)=O)=O
SPLASH splash10-01ot-9200000000-4ba535897711dcdb24f2
Source of Spectrum AD-0-3456-0
Synonyms 4-(Methylsulfanyl)-2-oxobutanoic acid 2-keto-4-(methylthio)butyric acid 2-keto-4-methylthiobutanoic acid 2-keto-4-thiomethylbutyrate 2-Ketothiomethylbutyric acid 2-Oxo-4-methylthiobutyric acid 2-Oxo-4-thiomethylbutyric acid 4-(methylthio)-2-oxobutanoic acid 4-(Methylthio)-2-oxobutyric acid 4-Methylmercapto-2-oxobutyrate 4-Methylmercapto-2-oxobutyric acid 4-Methylsulfanyl-2-oxidanylidene-butanoic acid 4-Methylthio-2-ketobutyric acid 4-Methylthio-2-oxobutanoate Butyric acid, 4-(methylthio)-2-oxo- Gamma-methiol-keto-butyric acid 4-Methylsulfanyl-2-oxobutanoic acid
Wiley ID 9470