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

*Links on SpectraBase are not permalinks.
Fumaric acid, 2-ethylhexyl 2,2,3,3-tetrafluoropropyl ester
SpectraBase Compound ID G1WuA3gHGc2
InChI InChI=1S/C15H22F4O4/c1-3-5-6-11(4-2)9-22-12(20)7-8-13(21)23-10-15(18,19)14(16)17/h7-8,11,14H,3-6,9-10H2,1-2H3/b8-7+
InChIKey IKRJXJOZTVGTLH-BQYQJAHWSA-N
Mol Weight 342.33 g/mol
Molecular Formula C15H22F4O4
Exact Mass 342.145422 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 CrVAawWdnNA
Name Fumaric acid, 2-ethylhexyl 2,2,3,3-tetrafluoropropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.145421836 u
Formula C15H22F4O4
InChI InChI=1S/C15H22F4O4/c1-3-5-6-11(4-2)9-22-12(20)7-8-13(21)23-10-15(18,19)14(16)17/h7-8,11,14H,3-6,9-10H2,1-2H3/b8-7+
InChIKey IKRJXJOZTVGTLH-BQYQJAHWSA-N
Molecular Weight 342.331 g/mol
SMILES C(\C=C\C(OCC(C(F)F)(F)F)=O)(OCC(CC)CCCC)=O