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

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 1-phenyl-2-(cyclohex-2-enyl)ethyl propyl ester
SpectraBase Compound ID 3obRd5cwwpA
InChI InChI=1S/C22H30O4/c1-4-15-25-20(23)22(2,3)21(24)26-19(18-13-9-6-10-14-18)16-17-11-7-5-8-12-17/h6-7,9-11,13-14,17,19H,4-5,8,12,15-16H2,1-3H3
InChIKey QEDJNZDPFQOXKW-UHFFFAOYSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LwmwZemGkyI
Name Dimethylmalonic acid, 1-phenyl-2-(cyclohex-2-enyl)ethyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 358.214409442 u
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-4-15-25-20(23)22(2,3)21(24)26-19(18-13-9-6-10-14-18)16-17-11-7-5-8-12-17/h6-7,9-11,13-14,17,19H,4-5,8,12,15-16H2,1-3H3
InChIKey QEDJNZDPFQOXKW-UHFFFAOYSA-N
Molecular Weight 358.478 g/mol
SMILES C1=CC=C(C=C1)C(OC(=O)C(C)(C)C(=O)OCCC)CC1C=CCCC1