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Ethanethioic acid, S-(3-oxopropyl) ester
SpectraBase Compound ID KrrqeXbTsmT
InChI InChI=1S/C5H8O2S/c1-5(7)8-4-2-3-6/h3H,2,4H2,1H3
InChIKey LLGHPZSANAZMFY-UHFFFAOYSA-N
Mol Weight 132.18 g/mol
Molecular Formula C5H8O2S
Exact Mass 132.024501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yuPLJhGLaF
Name Acetyl 2-formylethyl sulfide
Alternate Name(s) Ethanethioic acid S-(3-ketopropyl) ester Ethanethioic acid S-(3-oxopropyl) ester S-(3-oxidanylidenepropyl) ethanethioate S-(3-Oxopropyl) ethanethioate
CAS Registry Number 53943-93-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8O2S
InChI InChI=1S/C5H8O2S/c1-5(7)8-4-2-3-6/h3H,2,4H2,1H3
InChIKey LLGHPZSANAZMFY-UHFFFAOYSA-N
Molecular Weight 132.177 g/mol
SMILES CC(=O)SCCC=O
SPLASH splash10-0006-9000000000-8280a3fcea028a989595
Source of Spectrum EK-1999-452-0
Wiley ID 1133567