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Methyl (1R*,2S*,4S*)-2-Benzoyl-4-hydroxy-6-oxo-4-phenylcyclohexane-1-carboxylate
SpectraBase Compound ID 8TfKTQFh66d
InChI InChI=1S/C21H20O5/c1-26-20(24)18-16(19(23)14-8-4-2-5-9-14)12-21(25,13-17(18)22)15-10-6-3-7-11-15/h2-11,16,18,25H,12-13H2,1H3/t16-,18+,21-/m0/s1
InChIKey WPVQEKZSEDDDPP-CDXJDZJCSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8ZQ1Zjtblt
Name Methyl (1R*,2S*,4S*)-2-Benzoyl-4-hydroxy-6-oxo-4-phenylcyclohexane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O5
InChI InChI=1S/C21H20O5/c1-26-20(24)18-16(19(23)14-8-4-2-5-9-14)12-21(25,13-17(18)22)15-10-6-3-7-11-15/h2-11,16,18,25H,12-13H2,1H3/t16-,18+,21-/m0/s1
InChIKey WPVQEKZSEDDDPP-CDXJDZJCSA-N
Molecular Weight 352.386 g/mol
SMILES O[C@@]1(CC([C@@]([C@@](C(=O)c2ccccc2)(C1)[H])(C(=O)OC)[H])=O)c1ccccc1
SPLASH splash10-0a6r-6930000000-3954aa5a1158acde4492
Source of Spectrum F-69-2593-5
Synonyms Methyl (1R,2S,4S)-2-benzoyl-4-hydroxy-6-oxo-4-phenylcyclohexanecarboxylate
Wiley ID 1594932