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(1R,2S,5R)8-Phenylmenthyl (R)-Mandelate
SpectraBase Compound ID CLfu1zhjegb
InChI InChI=1S/C24H30O3/c1-17-14-15-20(24(2,3)19-12-8-5-9-13-19)21(16-17)27-23(26)22(25)18-10-6-4-7-11-18/h4-13,17,20-22,25H,14-16H2,1-3H3/t17-,20-,21-,22-/m1/s1
InChIKey PLBYOXDTQIUGGQ-BRKWEVRTSA-N
Mol Weight 366.5 g/mol
Molecular Formula C24H30O3
Exact Mass 366.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID s272bhC00M
Name (1R,2S,5R)8-Phenylmenthyl (R)-Mandelate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O3
InChI InChI=1S/C24H30O3/c1-17-14-15-20(24(2,3)19-12-8-5-9-13-19)21(16-17)27-23(26)22(25)18-10-6-4-7-11-18/h4-13,17,20-22,25H,14-16H2,1-3H3/t17-,20-,21-,22-/m1/s1
InChIKey PLBYOXDTQIUGGQ-BRKWEVRTSA-N
Molecular Weight 366.501 g/mol
SMILES O[C@@](C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)(c1ccccc1)[H]
SPLASH splash10-066u-2900000000-edc2f56fc211e783f664
Source of Spectrum J-60-4456-5
Synonyms (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (2R)-hydroxy(phenyl)ethanoate (2R)-2-hydroxy-2-phenyl-acetic acid[(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl]ester (2R)-2-hydroxy-2-phenylacetic acid[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]ester [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl](2R)-2-hydroxy-2-phenyl-acetate [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl](2R)-2-hydroxy-2-phenylacetate [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl](2R)-2-oxidanyl-2-phenyl-ethanoate (2R)-2-hydroxy-2-phenylacetic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R)-2-hydroxy-2-phenylacetate [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2R)-2-hydroxy-2-phenyl-acetate [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R)-2-oxidanyl-2-phenyl-ethanoate
Wiley ID 1352262