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Methyl 4-(methylthio)butyrate
SpectraBase Compound ID GrU51RhYkvl
InChI InChI=1S/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3
InChIKey HQDLZISNHUMXEA-UHFFFAOYSA-N
Mol Weight 148.22 g/mol
Molecular Formula C6H12O2S
Exact Mass 148.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79shnotzNlO
Name 4-(methylthio)butanoic acid methyl ester
CAS Registry Number 53053-51-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2S
InChI InChI=1S/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3
InChIKey HQDLZISNHUMXEA-UHFFFAOYSA-N
Molecular Weight 148.220 g/mol
SMILES C(=O)(OC)CCCSC
SPLASH splash10-01vk-9300000000-a4c3ac31fab0b43306b9
Source of Spectrum MG-937-0-0
Synonyms 4-(methylthio)butyric acid methyl ester Butanoic acid, 4-(methylthio)-, methyl ester Methyl 4-methylsulfanylbutanoate
Wiley ID 1145198