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(1S,2R)-2-[(1S)-2-ketocyclohexyl]cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID LrLHQMZeUmr
InChI InChI=1S/C14H22O3/c1-17-14(16)12-8-3-2-6-10(12)11-7-4-5-9-13(11)15/h10-12H,2-9H2,1H3/t10-,11+,12+/m1/s1
InChIKey AHSJOCDMZAZEDS-WOPDTQHZSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uwN0Xh6x5z
Name (1S,2R)-2-[(1S)-2-ketocyclohexyl]cyclohexanecarboxylic acid methyl ester
Alternate Name(s) (1S,2R)-2-[(1S)-2-oxocyclohexyl]-1-cyclohexanecarboxylic acid methyl ester Methyl (1S,2R)-2-[(1S)-2-oxidanylidenecyclohexyl]cyclohexane-1-carboxylate Methyl (1S,2R)-2-[(1S)-2-oxocyclohexyl]cyclohexane-1-carboxylate Methyl (1S,2R)-2-[(1S)-2-oxocyclohexyl]cyclohexanecarboxylate
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Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-17-14(16)12-8-3-2-6-10(12)11-7-4-5-9-13(11)15/h10-12H,2-9H2,1H3/t10-,11+,12+/m1/s1
InChIKey AHSJOCDMZAZEDS-WOPDTQHZSA-N
Molecular Weight 238.327 g/mol
SMILES [C@@]1([C@@](C(=O)OC)(CCCC1)[H])([C@]1(C(=O)CCCC1)[H])[H]
SPLASH splash10-052b-9370000000-f99b28f333a2dc2cab42
Source of Spectrum K-126-1944-31
Wiley ID 1240867