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

*Links on SpectraBase are not permalinks.

Fumaric acid, cyclohex-3-enylmethyl tetradecyl ester

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

Fumaric acid, cyclohex-3-enylmethyl tetradecyl ester
SpectraBase Compound ID 6C2RRU33Bh7
InChI InChI=1S/C25H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-28-24(26)19-20-25(27)29-22-23-17-14-13-15-18-23/h13-14,19-20,23H,2-12,15-18,21-22H2,1H3/b20-19+
InChIKey QXZRTENWAPVKTB-FMQUCBEESA-N
Mol Weight 406.6 g/mol
Molecular Formula C25H42O4
Exact Mass 406.30831 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 DJtQav2zC7o
Name Fumaric acid, cyclohex-3-enylmethyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.308309828 u
Formula C25H42O4
InChI InChI=1S/C25H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-28-24(26)19-20-25(27)29-22-23-17-14-13-15-18-23/h13-14,19-20,23H,2-12,15-18,21-22H2,1H3/b20-19+
InChIKey QXZRTENWAPVKTB-FMQUCBEESA-N
Molecular Weight 406.607 g/mol
SMILES C1C(CCC=C1)COC(\C=C\C(OCCCCCCCCCCCCCC)=O)=O