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Fumaric acid, 3,5-difluorophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 3,5-difluorophenyl pentadecyl ester
SpectraBase Compound ID K1Cn2d3ahEB
InChI InChI=1S/C25H36F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-30-24(28)15-16-25(29)31-23-19-21(26)18-22(27)20-23/h15-16,18-20H,2-14,17H2,1H3/b16-15+
InChIKey MEFHQVUXRKAUFV-FOCLMDBBSA-N
Mol Weight 438.6 g/mol
Molecular Formula C25H36F2O4
Exact Mass 438.258166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LV43d0ozJX8
Name Fumaric acid, 3,5-difluorophenyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.258165961 u
Formula C25H36F2O4
InChI InChI=1S/C25H36F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-30-24(28)15-16-25(29)31-23-19-21(26)18-22(27)20-23/h15-16,18-20H,2-14,17H2,1H3/b16-15+
InChIKey MEFHQVUXRKAUFV-FOCLMDBBSA-N
Molecular Weight 438.556 g/mol
SMILES C(CCCOC(\C=C\C(OC1=CC(=CC(=C1)F)F)=O)=O)CCCCCCCCCCC