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Ethyl 4-acetylbutyrate
SpectraBase Compound ID mI3yr5cm2R
InChI InChI=1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3
InChIKey MGPSIDGTLFKDEY-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43DDTPH4YMS
Name Hexanoic acid, 5-oxo-, ethyl ester
CAS Registry Number 13984-57-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3
InChIKey MGPSIDGTLFKDEY-UHFFFAOYSA-N
Molecular Weight 158.197 g/mol
SMILES CCOC(=O)CCCC(=O)C
SPLASH splash10-01ox-9200000000-3f1635f3bbd3f4e04817
Source of Spectrum SD-1981-0-0
Synonyms 5-ketohexanoic acid ethyl ester 5-Oxohexanoic acid ethyl ester Ethyl 4-acetylbutyrate Ethyl 5-oxidanylidenehexanoate Ethyl 5-oxohexanoate EINECS 237-776-7
Wiley ID 1155160