For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Octanoic acid, 6-oxo-, ethyl ester
SpectraBase Compound ID GABxOEHQwP2
InChI InChI=1S/C10H18O3/c1-3-9(11)7-5-6-8-10(12)13-4-2/h3-8H2,1-2H3
InChIKey AWEDPHYBDIDQEC-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KOWzVtEyjMw
Name Octanoic acid, 6-oxo-, ethyl ester
CAS Registry Number 4233-58-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-3-9(11)7-5-6-8-10(12)13-4-2/h3-8H2,1-2H3
InChIKey AWEDPHYBDIDQEC-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES CCC(CCCCC(=O)OCC)=O
SPLASH splash10-0bt9-9800000000-00ed837681a9b6fda67d
Source of Spectrum SD-1981-0-0
Synonyms Ethyl 6-oxooctanoate 6-ketocaprylic acid ethyl ester 6-Oxooctanoic acid ethyl ester Ethyl 6-oxidanylideneoctanoate
Wiley ID 1182738