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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, nonyl 3-phenylpropyl ester
SpectraBase Compound ID IM53OPLA8WG
InChI InChI=1S/C26H38O4/c1-2-3-4-5-6-7-13-20-29-25(27)23-18-11-12-19-24(23)26(28)30-21-14-17-22-15-9-8-10-16-22/h8-12,15-16,23-24H,2-7,13-14,17-21H2,1H3
InChIKey XYNDLRJOKOOZHV-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C26H38O4
Exact Mass 414.27701 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 8hQwdR550AG
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, nonyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.277009700 u
Formula C26H38O4
InChI InChI=1S/C26H38O4/c1-2-3-4-5-6-7-13-20-29-25(27)23-18-11-12-19-24(23)26(28)30-21-14-17-22-15-9-8-10-16-22/h8-12,15-16,23-24H,2-7,13-14,17-21H2,1H3
InChIKey XYNDLRJOKOOZHV-UHFFFAOYSA-N
Molecular Weight 414.586 g/mol
SMILES C=1CC(C(CC1)C(OCCCC1=CC=CC=C1)=O)C(=O)OCCCCCCCCC