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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentyl ester
SpectraBase Compound ID LZuIYzGalkV
InChI InChI=1S/C14H16F8O4/c1-2-3-4-7-25-9(23)5-6-10(24)26-8-12(17,18)14(21,22)13(19,20)11(15)16/h5-6,11H,2-4,7-8H2,1H3/b6-5+
InChIKey RRRZLVOBFDUMRO-AATRIKPKSA-N
Mol Weight 400.27 g/mol
Molecular Formula C14H16F8O4
Exact Mass 400.092084 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 LOd49Km3nE7
Name Fumaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.092084295 u
Formula C14H16F8O4
InChI InChI=1S/C14H16F8O4/c1-2-3-4-7-25-9(23)5-6-10(24)26-8-12(17,18)14(21,22)13(19,20)11(15)16/h5-6,11H,2-4,7-8H2,1H3/b6-5+
InChIKey RRRZLVOBFDUMRO-AATRIKPKSA-N
Molecular Weight 400.265 g/mol
SMILES C(\C=C\C(OCCCCC)=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O