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Cyclohexanecarboxylic acid, 4-benzyloxyphenyl ester
SpectraBase Compound ID CJ4OK4nR3xr
InChI InChI=1S/C20H22O3/c21-20(17-9-5-2-6-10-17)23-19-13-11-18(12-14-19)22-15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,17H,2,5-6,9-10,15H2
InChIKey WFTHGCZJTHGGCB-UHFFFAOYSA-N
Mol Weight 310.39 g/mol
Molecular Formula C20H22O3
Exact Mass 310.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I15AZQ9y9oG
Name Cyclohexanecarboxylic acid, 4-benzyloxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 310.156894565 u
Formula C20H22O3
InChI InChI=1S/C20H22O3/c21-20(17-9-5-2-6-10-17)23-19-13-11-18(12-14-19)22-15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,17H,2,5-6,9-10,15H2
InChIKey WFTHGCZJTHGGCB-UHFFFAOYSA-N
Molecular Weight 310.393 g/mol
SMILES C1CCCC(C1)C(OC1=CC=C(C=C1)OCC1=CC=CC=C1)=O