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Ethyl 6-oxoheptanoate
SpectraBase Compound ID KSW0B3K7bQS
InChI InChI=1S/C9H16O3/c1-3-12-9(11)7-5-4-6-8(2)10/h3-7H2,1-2H3
InChIKey OUHHAOKXQRZRSY-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 74QIOFZkogV
Name Ethyl 6-oxoheptanoate
Alternate Name(s) Heptanoic acid, 6-oxo-, ethyl ester 6-ketoenanthic acid ethyl ester 6-Oxoheptanoic acid ethyl ester Ethyl 6-oxidanylideneheptanoate
CAS Registry Number 30956-41-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-3-12-9(11)7-5-4-6-8(2)10/h3-7H2,1-2H3
InChIKey OUHHAOKXQRZRSY-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES C(C(OCC)=O)CCCC(C)=O
SPLASH splash10-0006-9400000000-0eb46275cf7163c209d1
Source of Spectrum SD-1981-0-0
Wiley ID 1168668