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Fumaric acid, heptadecyl 2,2,2-trifluoroethyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, heptadecyl 2,2,2-trifluoroethyl ester
SpectraBase Compound ID LSg3qaMPMHU
InChI InChI=1S/C23H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-21(27)17-18-22(28)30-20-23(24,25)26/h17-18H,2-16,19-20H2,1H3/b18-17+
InChIKey ZJHSNONKLVTOGH-ISLYRVAYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C23H39F3O4
Exact Mass 436.280044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3oK1ErMPZEh
Name Fumaric acid, heptadecyl 2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.280044221 u
Formula C23H39F3O4
InChI InChI=1S/C23H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-21(27)17-18-22(28)30-20-23(24,25)26/h17-18H,2-16,19-20H2,1H3/b18-17+
InChIKey ZJHSNONKLVTOGH-ISLYRVAYSA-N
Molecular Weight 436.556 g/mol
SMILES C(COC(\C=C\C(OCCCCCCCCCCCCCCCCC)=O)=O)(F)(F)F