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Methyl 7-oxooctanoate

View entire compound with spectra: 5 MS (GC)

Methyl 7-oxooctanoate
SpectraBase Compound ID 8ETYLKeUDyk
InChI InChI=1S/C9H16O3/c1-8(10)6-4-3-5-7-9(11)12-2/h3-7H2,1-2H3
InChIKey NKWMLOXILABMHV-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 IYCYHmU10bi
Name Methyl 7-oxooctanoate
CAS Registry Number 16493-42-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-8(10)6-4-3-5-7-9(11)12-2/h3-7H2,1-2H3
InChIKey NKWMLOXILABMHV-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES C(CCC(OC)=O)CCC(C)=O
SPLASH splash10-0006-9200000000-ef09b4f927cfaf9a1682
Source of Spectrum AH-122-722-4
Synonyms Octanoic acid, 7-oxo-, methyl ester 7-ketocaprylic acid methyl ester 7-Oxooctanoic acid methyl ester Methyl 7-oxidanylideneoctanoate
Wiley ID 1168796