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3-ketopentanethioic acid S-ethyl ester
SpectraBase Compound ID BOoOwZmXC7h
InChI InChI=1S/C7H12O2S/c1-3-6(8)5-7(9)10-4-2/h3-5H2,1-2H3
InChIKey ALKOPSULZMKZOK-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 1ZwA4DEGqGI
Name 3-ketopentanethioic acid S-ethyl ester
CAS Registry Number 63883-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2S
InChI InChI=1S/C7H12O2S/c1-3-6(8)5-7(9)10-4-2/h3-5H2,1-2H3
InChIKey ALKOPSULZMKZOK-UHFFFAOYSA-N
Molecular Weight 160.231 g/mol
SMILES C(C(=O)SCC)C(=O)CC
SPLASH splash10-0a4i-9000000000-c0561d0ac15d99a6c884
Source of Spectrum J-45-2772-0
Synonyms 3-Oxopentanethioic acid S-ethyl ester S-ethyl 3-oxidanylidenepentanethioate S-ethyl 3-oxopentanethioate
Wiley ID 1156487