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

*Links on SpectraBase are not permalinks.

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl tridecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl tridecyl ester
SpectraBase Compound ID DXnfMaJuyy9
InChI InChI=1S/C29H52O4/c1-4-7-9-10-11-12-13-14-15-16-19-23-32-28(30)26-21-17-18-22-27(26)29(31)33-24-25(6-3)20-8-5-2/h17-18,25-27H,4-16,19-24H2,1-3H3
InChIKey JSKYHKQIDMKTLN-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C29H52O4
Exact Mass 464.38656 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 DmqBjHDYkAz
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.386560150 u
Formula C29H52O4
InChI InChI=1S/C29H52O4/c1-4-7-9-10-11-12-13-14-15-16-19-23-32-28(30)26-21-17-18-22-27(26)29(31)33-24-25(6-3)20-8-5-2/h17-18,25-27H,4-16,19-24H2,1-3H3
InChIKey JSKYHKQIDMKTLN-UHFFFAOYSA-N
Molecular Weight 464.731 g/mol
SMILES C=1CC(C(CC1)C(OCC(CCCC)CC)=O)C(=O)OCCCCCCCCCCCCC