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Acetoacetic acid, 3-thio-, propyl ester
SpectraBase Compound ID JwdD4ij0kfA
InChI InChI=1S/C7H12O2S/c1-3-4-9-7(8)5-6(2)10/h3-5H2,1-2H3
InChIKey JNVSRTGPXASFKW-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 1PjSgvdx2
Name Acetoacetic acid, 3-thio-, propyl ester
CAS Registry Number 18457-87-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2S
InChI InChI=1S/C7H12O2S/c1-3-4-9-7(8)5-6(2)10/h3-5H2,1-2H3
InChIKey JNVSRTGPXASFKW-UHFFFAOYSA-N
Molecular Weight 160.231 g/mol
SMILES C(C(OCCC)=O)C(C)=S
SPLASH splash10-0uec-9200000000-6e6166b6875c57af8282
Source of Spectrum T-68-915-0
Synonyms Propyl 3-thioxobutanoate 3-sulfanylidenebutanoic acid propyl ester 3-Thioxobutyric acid propyl ester Propyl 3-sulfanylidenebutanoate
Wiley ID 12602