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(1R,2S)-trans-2-Phenylcyclohexyl Mandelate
SpectraBase Compound ID 3ObSvoOOwTi
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?/m0/s1
InChIKey RYVYMIQCNQZBIA-PAMZHZACSA-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 8JeMwLRWKIO
Name (1R,2S)-trans-2-Phenylcyclohexyl Mandelate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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?/m0/s1
InChIKey RYVYMIQCNQZBIA-PAMZHZACSA-N
Molecular Weight 310.393 g/mol
SMILES OC(C(O[C@]1([C@](c2ccccc2)(CCCC1)[H])[H])=O)c1ccccc1
SPLASH splash10-0006-9010000000-b30c84e6a349d0073c84
Source of Spectrum J-60-4456-5
Synonyms (1R,2S)-2-phenylcyclohexyl hydroxy(phenyl)acetate
Wiley ID 1311893