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4-Methyl-3-oxovaleric acid ethyl ester
SpectraBase Compound ID 1pyBoTIs0KF
InChI InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3
InChIKey XCLDSQRVMMXWMS-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 FeEy9DXPs49
Name Pentanoic acid, 4-methyl-3-oxo-, ethyl ester
Alternate Name(s) Ethyl 4-methyl-3-oxopentanoate .gamma.,.gamma.-Dimethylacetoacetic acid ethyl ester 3-keto-4-methyl-valeric acid ethyl ester 4-Methyl-3-oxopentanoic acid ethyl ester Ethyl .alpha. -isobutyroylacetate Ethyl 4-methyl-3-oxidanylidene-pentanoate Ethyl 4-methyl-3-oxo-pentanoate Ethyl isobutyroylacetate Ethyl isobutyrylacetate Valeric acid, 4-methyl-3-oxo-, ethyl ester AI3-37917 EINECS 230-491-9
CAS Registry Number 7152-15-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3
InChIKey XCLDSQRVMMXWMS-UHFFFAOYSA-N
Molecular Weight 158.197 g/mol
SMILES CCOC(=O)CC(=O)C(C)C
SPLASH splash10-002f-9100000000-429a78a13dbdfa38c288
Source of Spectrum JX-2012-61
Wiley ID 1660508