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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexyl 3-phenylpropyl ester
SpectraBase Compound ID BPqcLlnKa1O
InChI InChI=1S/C23H32O4/c1-2-3-4-10-17-26-22(24)20-15-8-9-16-21(20)23(25)27-18-11-14-19-12-6-5-7-13-19/h5-9,12-13,20-21H,2-4,10-11,14-18H2,1H3
InChIKey ZHAPRYDPWHTVQE-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

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID KhLzZLR0lsP
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexyl 3-phenylpropyl 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/c1-2-3-4-10-17-26-22(24)20-15-8-9-16-21(20)23(25)27-18-11-14-19-12-6-5-7-13-19/h5-9,12-13,20-21H,2-4,10-11,14-18H2,1H3
InChIKey ZHAPRYDPWHTVQE-UHFFFAOYSA-N
Molecular Weight 372.505 g/mol
SMILES C=1CC(C(CC1)C(OCCCC1=CC=CC=C1)=O)C(=O)OCCCCCC