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

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, isobutyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester
SpectraBase Compound ID 7cTfLErAzQE
InChI InChI=1S/C23H32O4/c1-17(2)16-26-21(24)23(3,4)22(25)27-20(19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h6-7,9-11,13-14,17-18,20H,5,8,12,15-16H2,1-4H3
InChIKey HIOIJAZHDPSNBD-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 IK3ftI6O7dM
Name Dimethylmalonic acid, isobutyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.230059506 u
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-17(2)16-26-21(24)23(3,4)22(25)27-20(19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h6-7,9-11,13-14,17-18,20H,5,8,12,15-16H2,1-4H3
InChIKey HIOIJAZHDPSNBD-UHFFFAOYSA-N
Molecular Weight 372.505 g/mol
SMILES C1=CC=C(C=C1)C(OC(=O)C(C)(C)C(OCC(C)C)=O)CC1C=CCCC1