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

*Links on SpectraBase are not permalinks.

Fumaric acid, 2-ethylcyclohexyl pentadecyl ester

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

Fumaric acid, 2-ethylcyclohexyl pentadecyl ester
SpectraBase Compound ID GDjfgfIJV7S
InChI InChI=1S/C27H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-23-30-26(28)21-22-27(29)31-25-20-17-16-19-24(25)4-2/h21-22,24-25H,3-20,23H2,1-2H3/b22-21+
InChIKey KSMRHEWFPIGATG-QURGRASLSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H48O4
Exact Mass 436.35526 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 BSMK2Uolwll
Name Fumaric acid, 2-ethylcyclohexyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.355260022 u
Formula C27H48O4
InChI InChI=1S/C27H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-23-30-26(28)21-22-27(29)31-25-20-17-16-19-24(25)4-2/h21-22,24-25H,3-20,23H2,1-2H3/b22-21+
InChIKey KSMRHEWFPIGATG-QURGRASLSA-N
Molecular Weight 436.677 g/mol
SMILES C(C1C(CCCC1)OC(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O)C