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Octanoic acid, 3-oxo-, methyl ester
SpectraBase Compound ID 3v8N7xHtmw6
InChI InChI=1S/C9H16O3/c1-3-4-5-6-8(10)7-9(11)12-2/h3-7H2,1-2H3
InChIKey YKLCWZMIZHQGFV-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 AJmmCuwnPBx
Name Octanoic acid, 3-oxo-, methyl ester
CAS Registry Number 22348-95-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-3-4-5-6-8(10)7-9(11)12-2/h3-7H2,1-2H3
InChIKey YKLCWZMIZHQGFV-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES C(=O)(OC)CC(=O)CCCCC
SPLASH splash10-00kf-9600000000-4985facb51f63d18f814
Source of Spectrum QC-17-3403-2
Synonyms 3-ketocaprylic acid methyl ester 3-Oxooctanoic acid methyl ester Methyl 3-oxidanylideneoctanoate Methyl 3-oxooctanoate EINECS 244-927-0
Wiley ID 1638596