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(1S,2R)-trans-2-Phenylcyclohexyl (R)-Mandelate
SpectraBase Compound ID 6AjjdVwEBRF
InChI InChI=1S/C20H22O3/c21-19(16-11-5-2-6-12-16)20(22)23-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-6,9-12,17-19,21H,7-8,13-14H2/t17-,18+,19-/m1/s1
InChIKey RYVYMIQCNQZBIA-CEXWTWQISA-N
Mol Weight 310.39 g/mol
Molecular Formula C20H22O3
Exact Mass 310.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFIiCIjhDRP
Name (1S,2R)-trans-2-Phenylcyclohexyl (R)-Mandelate
Alternate Name(s) (1S,2R)-2-phenylcyclohexyl (2R)-hydroxy(phenyl)ethanoate (2R)-2-hydroxy-2-phenyl-acetic acid[(1S,2R)-2-phenylcyclohexyl]ester [(1S,2R)-2-phenylcyclohexyl](2R)-2-hydroxy-2-phenyl-acetate [(1S,2R)-2-phenylcyclohexyl](2R)-2-oxidanyl-2-phenyl-ethanoate (2R)-2-hydroxy-2-phenylacetic acid [(1S,2R)-2-phenylcyclohexyl] ester [(1S,2R)-2-phenylcyclohexyl] (2R)-2-hydroxy-2-phenylacetate [(1S,2R)-2-phenylcyclohexyl] (2R)-2-hydroxy-2-phenyl-acetate [(1S,2R)-2-phenylcyclohexyl] (2R)-2-oxidanyl-2-phenyl-ethanoate
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Formula C20H22O3
InChI InChI=1S/C20H22O3/c21-19(16-11-5-2-6-12-16)20(22)23-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-6,9-12,17-19,21H,7-8,13-14H2/t17-,18+,19-/m1/s1
InChIKey RYVYMIQCNQZBIA-CEXWTWQISA-N
Molecular Weight 310.393 g/mol
SMILES O[C@@](C(O[C@@]1([C@@](c2ccccc2)(CCCC1)[H])[H])=O)(c1ccccc1)[H]
SPLASH splash10-01ox-9004000000-be20a29c943b45a46de7
Source of Spectrum J-60-4460-5
Wiley ID 1311892