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(1S,2R)-2-(2-ketohexyl)cyclohexanecarboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(1S,2R)-2-(2-ketohexyl)cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID DfscW4GMbDf
InChI InChI=1S/C14H24O3/c1-3-4-8-12(15)10-11-7-5-6-9-13(11)14(16)17-2/h11,13H,3-10H2,1-2H3/t11-,13+/m1/s1
InChIKey GCHFIVDQYPKUEI-YPMHNXCESA-N
Mol Weight 240.34 g/mol
Molecular Formula C14H24O3
Exact Mass 240.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1cBjkpd4HR
Name (1S,2R)-2-(2-ketohexyl)cyclohexanecarboxylic acid methyl ester
Alternate Name(s) (1S,2R)-2-(2-oxohexyl)-1-cyclohexanecarboxylic acid methyl ester Methyl (1S,2R)-2-(2-oxidanylidenehexyl)cyclohexane-1-carboxylate Methyl (1S,2R)-2-(2-oxohexyl)cyclohexane-1-carboxylate Methyl (1S,2R)-2-(2-oxohexyl)cyclohexanecarboxylate
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Formula C14H24O3
InChI InChI=1S/C14H24O3/c1-3-4-8-12(15)10-11-7-5-6-9-13(11)14(16)17-2/h11,13H,3-10H2,1-2H3/t11-,13+/m1/s1
InChIKey GCHFIVDQYPKUEI-YPMHNXCESA-N
Molecular Weight 240.343 g/mol
SMILES C([C@@]1([C@@](CC(=O)CCCC)(CCCC1)[H])[H])(=O)OC
SPLASH splash10-0a4l-6910000000-7eff18661b2af774c72a
Source of Spectrum K-126-1938-5
Wiley ID 1243145