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2-ketocaprylic acid methyl ester
SpectraBase Compound ID GMpRbZ65mrR
InChI InChI=1S/C9H16O3/c1-3-4-5-6-7-8(10)9(11)12-2/h3-7H2,1-2H3
InChIKey JCVKROPMQGWQGA-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 8fZzVoO9nRs
Name 2-ketocaprylic acid methyl ester
Alternate Name(s) 2-Oxooctanoic acid methyl ester Methyl 2-oxidanylideneoctanoate Methyl 2-oxooctanoate
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Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-3-4-5-6-7-8(10)9(11)12-2/h3-7H2,1-2H3
InChIKey JCVKROPMQGWQGA-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES C(C(CCCCCC)=O)(=O)OC
SPLASH splash10-03di-2900000000-278f66a9834309b49228
Source of Spectrum J-66-3608-1
Wiley ID 1535760