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2-(2-ketohexyl)benzoic acid methyl ester
SpectraBase Compound ID GDUf7fNkSt8
InChI InChI=1S/C14H18O3/c1-3-4-8-12(15)10-11-7-5-6-9-13(11)14(16)17-2/h5-7,9H,3-4,8,10H2,1-2H3
InChIKey MNIKKUMWJYYSSW-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kdm6hioUMhQ
Name 2-(2-ketohexyl)benzoic acid methyl ester
Alternate Name(s) 2-(2-oxohexyl)benzoic acid methyl ester Methyl 2-(2-oxidanylidenehexyl)benzoate Methyl 2-(2-oxohexyl)benzoate
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Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-3-4-8-12(15)10-11-7-5-6-9-13(11)14(16)17-2/h5-7,9H,3-4,8,10H2,1-2H3
InChIKey MNIKKUMWJYYSSW-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES C(c1c(CC(=O)CCCC)cccc1)(=O)OC
SPLASH splash10-000f-7920000000-22c991ecde133869b398
Source of Spectrum Y1-42-1525-3
Wiley ID 1565205