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Heptanoic acid, 6-oxo-, phenyl ester

View entire compound with spectra: 2 MS (GC)

Heptanoic acid, 6-oxo-, phenyl ester
SpectraBase Compound ID FkeMCSkFH6V
InChI InChI=1S/C13H16O3/c1-11(14)7-5-6-10-13(15)16-12-8-3-2-4-9-12/h2-4,8-9H,5-7,10H2,1H3
InChIKey NTXHLCNEZRVTJK-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWTpMw0YNx1
Name Heptanoic acid, 6-oxo-, phenyl ester
Alternate Name(s) 6-ketoenanthic acid phenyl ester 6-Oxoheptanoic acid phenyl ester phenyl 6-oxidanylideneheptanoate Phenyl 6-oxoheptanoate
CAS Registry Number 166273-39-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-11(14)7-5-6-10-13(15)16-12-8-3-2-4-9-12/h2-4,8-9H,5-7,10H2,1H3
InChIKey NTXHLCNEZRVTJK-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES c1cc(ccc1)OC(=O)CCCCC(=O)C
SPLASH splash10-0006-9300000000-1bd76900b03a693a025e
Wiley ID 1490714