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

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, butyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester
SpectraBase Compound ID 2oy6ds5tNMw
InChI InChI=1S/C23H32O4/c1-4-5-16-26-21(24)23(2,3)22(25)27-20(19-14-10-7-11-15-19)17-18-12-8-6-9-13-18/h7-8,10-12,14-15,18,20H,4-6,9,13,16-17H2,1-3H3
InChIKey YTIJBNMRBBRZJG-UHFFFAOYSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITH4pTjePwH
Name Dimethylmalonic acid, butyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.230059506 u
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-4-5-16-26-21(24)23(2,3)22(25)27-20(19-14-10-7-11-15-19)17-18-12-8-6-9-13-18/h7-8,10-12,14-15,18,20H,4-6,9,13,16-17H2,1-3H3
InChIKey YTIJBNMRBBRZJG-UHFFFAOYSA-N
Molecular Weight 372.505 g/mol
SMILES C1=CC=C(C=C1)C(OC(=O)C(C)(C)C(OCCCC)=O)CC1C=CCCC1