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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Fumaric acid, 2-methoxyphenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 4RGQVLRcxqA
InChI InChI=1S/C16H12F8O5/c1-27-9-4-2-3-5-10(9)29-12(26)7-6-11(25)28-8-14(19,20)16(23,24)15(21,22)13(17)18/h2-7,13H,8H2,1H3/b7-6+
InChIKey JUJIOLJYRDJYTD-VOTSOKGWSA-N
Mol Weight 436.25 g/mol
Molecular Formula C16H12F8O5
Exact Mass 436.055699 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 B6Lj3xmM05g
Name Fumaric acid, 2-methoxyphenyl 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 436.055698785 u
Formula C16H12F8O5
InChI InChI=1S/C16H12F8O5/c1-27-9-4-2-3-5-10(9)29-12(26)7-6-11(25)28-8-14(19,20)16(23,24)15(21,22)13(17)18/h2-7,13H,8H2,1H3/b7-6+
InChIKey JUJIOLJYRDJYTD-VOTSOKGWSA-N
Molecular Weight 436.254 g/mol
SMILES C(\C=C\C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(OC1=C(OC)C=CC=C1)=O