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(S,R)-2-Benzyl-3-benzoylcyclohexanone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(S,R)-2-Benzyl-3-benzoylcyclohexanone
SpectraBase Compound ID BvsiosU4N76
InChI InChI=1S/C20H20O2/c21-19-13-7-12-17(20(22)16-10-5-2-6-11-16)18(19)14-15-8-3-1-4-9-15/h1-6,8-11,17-18H,7,12-14H2/t17-,18+/m1/s1
InChIKey GSJMXPABHRUZHM-MSOLQXFVSA-N
Mol Weight 292.38 g/mol
Molecular Formula C20H20O2
Exact Mass 292.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J4LELg5DtjH
Name (S,R)-2-Benzyl-3-benzoylcyclohexanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.146329882 u
Formula C20H20O2
InChI InChI=1S/C20H20O2/c21-19-13-7-12-17(20(22)16-10-5-2-6-11-16)18(19)14-15-8-3-1-4-9-15/h1-6,8-11,17-18H,7,12-14H2/t17-,18+/m1/s1
InChIKey GSJMXPABHRUZHM-MSOLQXFVSA-N
Molecular Weight 292.378 g/mol
SMILES [C@]1([C@](C(=O)C2=CC=CC=C2)(CCCC1=O)[H])(CC1=CC=CC=C1)[H]