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Butanethioic acid, 3-oxo-, S-butyl ester
SpectraBase Compound ID 4Vy0q047pzQ
InChI InChI=1S/C8H14O2S/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3
InChIKey DZAGQELYBSGGJQ-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 2viDBC1AuI2
Name Butanethioic acid, 3-oxo-, S-butyl ester
CAS Registry Number 15780-63-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O2S
InChI InChI=1S/C8H14O2S/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3
InChIKey DZAGQELYBSGGJQ-UHFFFAOYSA-N
Molecular Weight 174.258 g/mol
SMILES C(SCCCC)(CC(C)=O)=O
SPLASH splash10-000l-9000000000-b165c65bb8d7c37d242a
Source of Spectrum AA-0-1172-4
Synonyms S-Butyl 3-oxobutanethioate 3-ketobutanethioic acid S-butyl ester 3-Oxobutanethioic acid S-butyl ester Acetoacetic acid, 1-thio-, S-butyl ester S-butyl 3-oxidanylidenebutanethioate
Wiley ID 1170218