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Dimethylmalonic acid, ethyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, ethyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester
SpectraBase Compound ID byG3q6B7Yq
InChI InChI=1S/C21H28O4/c1-4-24-19(22)21(2,3)20(23)25-18(17-13-9-6-10-14-17)15-16-11-7-5-8-12-16/h6-7,9-11,13-14,16,18H,4-5,8,12,15H2,1-3H3
InChIKey ZBUBJFIHRVBRSG-UHFFFAOYSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K0EjExzAw10
Name Dimethylmalonic acid, ethyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 344.198759378 u
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-4-24-19(22)21(2,3)20(23)25-18(17-13-9-6-10-14-17)15-16-11-7-5-8-12-16/h6-7,9-11,13-14,16,18H,4-5,8,12,15H2,1-3H3
InChIKey ZBUBJFIHRVBRSG-UHFFFAOYSA-N
Molecular Weight 344.451 g/mol
SMILES C1CCC(C=C1)CC(OC(=O)C(C)(C)C(OCC)=O)C1=CC=CC=C1