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Octanoic acid, 7-oxo-, ethyl ester
SpectraBase Compound ID K18ym9nSjeu
InChI InChI=1S/C10H18O3/c1-3-13-10(12)8-6-4-5-7-9(2)11/h3-8H2,1-2H3
InChIKey IJIXKXZGLVMEDN-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INKaXgSLwEX
Name Octanoic acid, 7-oxo-, ethyl ester
CAS Registry Number 36651-36-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-3-13-10(12)8-6-4-5-7-9(2)11/h3-8H2,1-2H3
InChIKey IJIXKXZGLVMEDN-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES CC(CCCCCC(=O)OCC)=O
SPLASH splash10-004i-1900000000-01fb455871b1e40bc6a7
Source of Spectrum O6-0-385-0
Synonyms Ethyl 7-oxooctanoate 7-ketocaprylic acid ethyl ester 7-Oxooctanoic acid ethyl ester Ethyl 7-oxidanylideneoctanoate
Wiley ID 1182741