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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Fumaric acid, hexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 3ukesXApTi3
InChI InChI=1S/C15H18F8O4/c1-2-3-4-5-8-26-10(24)6-7-11(25)27-9-13(18,19)15(22,23)14(20,21)12(16)17/h6-7,12H,2-5,8-9H2,1H3/b7-6+
InChIKey ZNGQKDGFMRTACP-VOTSOKGWSA-N
Mol Weight 414.29 g/mol
Molecular Formula C15H18F8O4
Exact Mass 414.107734 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 AIEgqUupAID
Name Fumaric acid, hexyl 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 414.107734360 u
Formula C15H18F8O4
InChI InChI=1S/C15H18F8O4/c1-2-3-4-5-8-26-10(24)6-7-11(25)27-9-13(18,19)15(22,23)14(20,21)12(16)17/h6-7,12H,2-5,8-9H2,1H3/b7-6+
InChIKey ZNGQKDGFMRTACP-VOTSOKGWSA-N
Molecular Weight 414.292 g/mol
SMILES C(\C=C\C(OCCCCCC)=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O