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Fumaric acid, octadecyl 2,2,2-trifluoroethyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, octadecyl 2,2,2-trifluoroethyl ester
SpectraBase Compound ID 3Rz3ipv8fVI
InChI InChI=1S/C24H41F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-22(28)18-19-23(29)31-21-24(25,26)27/h18-19H,2-17,20-21H2,1H3/b19-18+
InChIKey LJSKUWXZEDSKBS-VHEBQXMUSA-N
Mol Weight 450.6 g/mol
Molecular Formula C24H41F3O4
Exact Mass 450.295694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Jp5swrbA4B
Name Fumaric acid, octadecyl 2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.295694285 u
Formula C24H41F3O4
InChI InChI=1S/C24H41F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-22(28)18-19-23(29)31-21-24(25,26)27/h18-19H,2-17,20-21H2,1H3/b19-18+
InChIKey LJSKUWXZEDSKBS-VHEBQXMUSA-N
Molecular Weight 450.583 g/mol
SMILES C(COC(\C=C\C(OCCCCCCCCCCCCCCCCCC)=O)=O)(F)(F)F