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(+)-(1S,2R,1'S)-2-(1-benzoylethyl)cyclohexanecarboxylicacid-methylester

View entire compound with spectra: 2 MS (GC)

(+)-(1S,2R,1'S)-2-(1-benzoylethyl)cyclohexanecarboxylicacid-methylester
SpectraBase Compound ID 7pfW7S29yyS
InChI InChI=1S/C17H22O3/c1-12(16(18)13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(19)20-2/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3/t12-,14+,15-/m0/s1
InChIKey BJGMWDNCLNERMS-CFVMTHIKSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbUMF5idc6r
Name (1S,2R)-2-[(1S)-2-keto-1-methyl-2-phenyl-ethyl]cyclohexanecarboxylic acid methyl ester
Alternate Name(s) (1S,2R)-2-[(2S)-1-oxo-1-phenylpropan-2-yl]-1-cyclohexanecarboxylic acid methyl ester Methyl (1S,2R)-2-[(1S)-1-methyl-2-oxo-2-phenyl-ethyl]cyclohexanecarboxylate Methyl (1S,2R)-2-[(2S)-1-oxidanylidene-1-phenyl-propan-2-yl]cyclohexane-1-carboxylate Methyl (1S,2R)-2-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexane-1-carboxylate
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Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-12(16(18)13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(19)20-2/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3/t12-,14+,15-/m0/s1
InChIKey BJGMWDNCLNERMS-CFVMTHIKSA-N
Molecular Weight 274.360 g/mol
SMILES [C@]1([C@@](C(=O)c2ccccc2)(C)[H])([C@@](C(=O)OC)(CCCC1)[H])[H]
SPLASH splash10-053r-5900000000-33527e543aeaaf1b76b4
Source of Spectrum K-126-1944-31
Wiley ID 1278440