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S-METHYLBUTANTHIOATE
SpectraBase Compound ID 7TEU0DZxnzB
InChI InChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3
InChIKey GRLJIIJNZJVMGP-UHFFFAOYSA-N
Mol Weight 118.19 g/mol
Molecular Formula C5H10OS
Exact Mass 118.045236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzywjJ1RZLT
Name Butanethioic acid, S-methyl ester
CAS Registry Number 2432-51-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H10OS
InChI InChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3
InChIKey GRLJIIJNZJVMGP-UHFFFAOYSA-N
Molecular Weight 118.194 g/mol
SMILES CCCC(=O)SC
SPLASH splash10-0006-9000000000-578a06150dd842ac922f
Source of Spectrum MG-936-0-0
Synonyms S-Methyl butanethioate Butyric acid, thio-, S-methyl ester Methane n-thiolbutyrate Methanethiol butyrate Methanethiol n-butyrate Methyl thiobutanoate Methyl thiolbutyrate S-Methyl thiobutyrate EINECS 219-407-1 FEMA NO. 3310
Wiley ID 1126306