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

*Links on SpectraBase are not permalinks.

Fumaric acid, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 8gJNNKE03de
InChI InChI=1S/C29H46F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-40-24(38)20-21-25(39)41-23-27(32,33)29(36,37)28(34,35)26(30)31/h20-21,26H,2-19,22-23H2,1H3/b21-20+
InChIKey LZGRDDZNNSUUJU-QZQOTICOSA-N
Mol Weight 610.7 g/mol
Molecular Formula C29H46F8O4
Exact Mass 610.326835 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 FEETI2hfjkr
Name Fumaric acid, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 610.326835261 u
Formula C29H46F8O4
InChI InChI=1S/C29H46F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-40-24(38)20-21-25(39)41-23-27(32,33)29(36,37)28(34,35)26(30)31/h20-21,26H,2-19,22-23H2,1H3/b21-20+
InChIKey LZGRDDZNNSUUJU-QZQOTICOSA-N
Molecular Weight 610.670 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCCCCCCCCC)=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O