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Hexanoic acid, 2-methyl-3-oxo-, ethyl ester
SpectraBase Compound ID Fy8BLDVSDkb
InChI InChI=1S/C9H16O3/c1-4-6-8(10)7(3)9(11)12-5-2/h7H,4-6H2,1-3H3
InChIKey ZHDUQUQKEAZVPG-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YBtXItkfYH
Name Hexanoic acid, 2-methyl-3-oxo-, ethyl ester
Alternate Name(s) Ethyl 2,5-dimethyl-3-oxopentanoate Ethyl 2-methyl-3-oxohexanoate 2-Methyl-3-oxohexanoic acid ethyl ester 3-keto-2-methyl-hexanoic acid ethyl ester Ethyl 2-methyl-3-oxo-hexanoate Ethyl 2-methyl-3-oxidanylidene-hexanoate
CAS Registry Number 29304-40-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-4-6-8(10)7(3)9(11)12-5-2/h7H,4-6H2,1-3H3
InChIKey ZHDUQUQKEAZVPG-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES CC(C(OCC)=O)C(=O)CCC
SPLASH splash10-00dl-9100000000-69c210f6c21f23aa0018
Wiley ID 1488834