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Fumaric acid, 3,5-difluorophenyl octadecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 3,5-difluorophenyl octadecyl ester
SpectraBase Compound ID KaW50CFLakj
InChI InChI=1S/C28H42F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-27(31)18-19-28(32)34-26-22-24(29)21-25(30)23-26/h18-19,21-23H,2-17,20H2,1H3/b19-18+
InChIKey OEUVQMHHUXYQKW-VHEBQXMUSA-N
Mol Weight 480.6 g/mol
Molecular Formula C28H42F2O4
Exact Mass 480.305116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HMgjc78AyC6
Name Fumaric acid, 3,5-difluorophenyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.305116154 u
Formula C28H42F2O4
InChI InChI=1S/C28H42F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-27(31)18-19-28(32)34-26-22-24(29)21-25(30)23-26/h18-19,21-23H,2-17,20H2,1H3/b19-18+
InChIKey OEUVQMHHUXYQKW-VHEBQXMUSA-N
Molecular Weight 480.637 g/mol
SMILES C(CCCCCCCCCOC(\C=C\C(OC1=CC(=CC(=C1)F)F)=O)=O)CCCCCCCC