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S-(1-Methyl-2-oxopropyl) butanethioate
SpectraBase Compound ID EasJDBKRDMF
InChI InChI=1S/C8H14O2S/c1-4-5-8(10)11-7(3)6(2)9/h7H,4-5H2,1-3H3
InChIKey CDRFJPFRTFLHRR-UHFFFAOYSA-N
Mol Weight 174.26 g/mol
Molecular Formula C8H14O2S
Exact Mass 174.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6feBzvoLkef
Name S-(1-Methyl-2-oxopropyl) butanethioate
CAS Registry Number 32425-98-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O2S
InChI InChI=1S/C8H14O2S/c1-4-5-8(10)11-7(3)6(2)9/h7H,4-5H2,1-3H3
InChIKey CDRFJPFRTFLHRR-UHFFFAOYSA-N
Molecular Weight 174.258 g/mol
SMILES C(=O)(C(SC(CCC)=O)C)C
SPLASH splash10-006x-9000000000-1b47d4c8038c74b58055
Synonyms Butanethioic acid S-(2-keto-1-methyl-propyl) ester Butanethioic acid S-(3-oxobutan-2-yl) ester Butanethioic acid, S-(1-methyl-2-oxopropyl) ester S-(3-oxidanylidenebutan-2-yl) butanethioate S-(3-oxobutan-2-yl) butanethioate
Wiley ID 1488862