For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl 3-phenylpropyl ester
SpectraBase Compound ID tP2gvJ38HY
InChI InChI=1S/C21H28O4/c1-2-3-15-24-20(22)18-13-7-8-14-19(18)21(23)25-16-9-12-17-10-5-4-6-11-17/h4-8,10-11,18-19H,2-3,9,12-16H2,1H3
InChIKey MVQIXQSCRIFICV-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7HYRngj21K
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.198759378 u
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-2-3-15-24-20(22)18-13-7-8-14-19(18)21(23)25-16-9-12-17-10-5-4-6-11-17/h4-8,10-11,18-19H,2-3,9,12-16H2,1H3
InChIKey MVQIXQSCRIFICV-UHFFFAOYSA-N
Molecular Weight 344.451 g/mol
SMILES C=1CC(C(CC1)C(OCCCC1=CC=CC=C1)=O)C(=O)OCCCC