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(1S,2R)-Trans-2-phenylcyclohexyl 2-oxophenylacetate
SpectraBase Compound ID J0SKDfrBqfg
InChI InChI=1S/C20H20O3/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/h1-6,9-12,17-18H,7-8,13-14H2/t17-,18+/m1/s1
InChIKey XGBFDQAWLIRJBT-MSOLQXFVSA-N
Mol Weight 308.38 g/mol
Molecular Formula C20H20O3
Exact Mass 308.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4dGGSq3BwB
Name (1S,2R)-Trans-2-phenylcyclohexyl 2-oxophenylacetate
Comments Computed using HOSE algorithm
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Exact Mass 308.141244501 u
Formula C20H20O3
InChI InChI=1S/C20H20O3/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/h1-6,9-12,17-18H,7-8,13-14H2/t17-,18+/m1/s1
InChIKey XGBFDQAWLIRJBT-MSOLQXFVSA-N
Molecular Weight 308.377 g/mol
SMILES C(C(=O)C1=CC=CC=C1)(O[C@@]1([C@@](C2=CC=CC=C2)(CCCC1)[H])[H])=O