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

*Links on SpectraBase are not permalinks.

Fumaric acid, pentadecyl 2,2,2-trifluoroethyl ester

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

Fumaric acid, pentadecyl 2,2,2-trifluoroethyl ester
SpectraBase Compound ID IST2GQ4E2ld
InChI InChI=1S/C21H35F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27-19(25)15-16-20(26)28-18-21(22,23)24/h15-16H,2-14,17-18H2,1H3/b16-15+
InChIKey FVJWHMCZECOAHJ-FOCLMDBBSA-N
Mol Weight 408.5 g/mol
Molecular Formula C21H35F3O4
Exact Mass 408.248744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID GulIvnnnu6N
Name Fumaric acid, pentadecyl 2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.248744092 u
Formula C21H35F3O4
InChI InChI=1S/C21H35F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27-19(25)15-16-20(26)28-18-21(22,23)24/h15-16H,2-14,17-18H2,1H3/b16-15+
InChIKey FVJWHMCZECOAHJ-FOCLMDBBSA-N
Molecular Weight 408.502 g/mol
SMILES C(COC(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O)(F)(F)F