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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Fumaric acid, 3,5-dimethylphenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID EoeolUITALS
InChI InChI=1S/C17H14F8O4/c1-9-5-10(2)7-11(6-9)29-13(27)4-3-12(26)28-8-15(20,21)17(24,25)16(22,23)14(18)19/h3-7,14H,8H2,1-2H3/b4-3+
InChIKey FNASLBAIWRVKPF-ONEGZZNKSA-N
Mol Weight 434.28 g/mol
Molecular Formula C17H14F8O4
Exact Mass 434.076434 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 GQ1m7LkQc7W
Name Fumaric acid, 3,5-dimethylphenyl 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 434.076434231 u
Formula C17H14F8O4
InChI InChI=1S/C17H14F8O4/c1-9-5-10(2)7-11(6-9)29-13(27)4-3-12(26)28-8-15(20,21)17(24,25)16(22,23)14(18)19/h3-7,14H,8H2,1-2H3/b4-3+
InChIKey FNASLBAIWRVKPF-ONEGZZNKSA-N
Molecular Weight 434.282 g/mol
SMILES C(\C=C\C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(OC1=CC(=CC(=C1)C)C)=O