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Butanethioic acid, 3-oxo-, S-propyl ester
SpectraBase Compound ID DxBVzdYYfpU
InChI InChI=1S/C7H12O2S/c1-3-4-10-7(9)5-6(2)8/h3-5H2,1-2H3
InChIKey QAPNPWKUMFCJPN-UHFFFAOYSA-N
Mol Weight 160.23 g/mol
Molecular Formula C7H12O2S
Exact Mass 160.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92dKRyGFqCV
Name Butanethioic acid, 3-oxo-, S-propyl ester
CAS Registry Number 15780-61-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2S
InChI InChI=1S/C7H12O2S/c1-3-4-10-7(9)5-6(2)8/h3-5H2,1-2H3
InChIKey QAPNPWKUMFCJPN-UHFFFAOYSA-N
Molecular Weight 160.231 g/mol
SMILES C(C(SCCC)=O)C(C)=O
SPLASH splash10-000f-9100000000-cd4d35e0276a49a5fe16
Source of Spectrum AA-0-1005-3
Synonyms S-Propyl 3-oxobutanethioate 3-ketobutanethioic acid S-propyl ester 3-Oxobutanethioic acid S-propyl ester Acetoacetic acid, 1-thio-, S-propyl ester S-propyl 3-oxidanylidenebutanethioate
Wiley ID 1156488