For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Butanethioic acid, 3-oxo-, S-ethyl ester
SpectraBase Compound ID 1pZ1PX9XU1K
InChI InChI=1S/C6H10O2S/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
InChIKey OMERQNHZTBWLMZ-UHFFFAOYSA-N
Mol Weight 146.2 g/mol
Molecular Formula C6H10O2S
Exact Mass 146.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LosmhGZuOyB
Name Butanethioic acid, 3-oxo-, S-ethyl ester
CAS Registry Number 3075-23-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H10O2S
InChI InChI=1S/C6H10O2S/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
InChIKey OMERQNHZTBWLMZ-UHFFFAOYSA-N
Molecular Weight 146.204 g/mol
SMILES C(C(SCC)=O)C(C)=O
SPLASH splash10-0udl-9200000000-0fc8a5566bd9b8b0ade3
Source of Spectrum T-68-621-0
Synonyms S-Ethyl 3-oxobutanethioate 3-ketobutanethioic acid S-ethyl ester 3-Oxobutanethioic acid S-ethyl ester Acetoacetic acid, 1-thio-, S-ethyl ester S-ethyl 3-oxidanylidenebutanethioate S-Ethyl acetothioacetate
Wiley ID 9033