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Trans-3-(trifluoromethyl)cinnamic acid, pentadecyl ester

View entire compound with spectra: 1 NMR

Trans-3-(trifluoromethyl)cinnamic acid, pentadecyl ester
SpectraBase Compound ID 5dKvdyWrOjq
InChI InChI=1S/C25H37F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-30-24(29)19-18-22-16-15-17-23(21-22)25(26,27)28/h15-19,21H,2-14,20H2,1H3/b19-18+
InChIKey JMWFVIXXKWTWQF-VHEBQXMUSA-N
Mol Weight 426.6 g/mol
Molecular Formula C25H37F3O2
Exact Mass 426.274565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 89NnawXOHrE
Name Trans-3-(trifluoromethyl)cinnamic acid, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 426.274564918 u
Formula C25H37F3O2
InChI InChI=1S/C25H37F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-30-24(29)19-18-22-16-15-17-23(21-22)25(26,27)28/h15-19,21H,2-14,20H2,1H3/b19-18+
InChIKey JMWFVIXXKWTWQF-VHEBQXMUSA-N
Molecular Weight 426.564 g/mol
SMILES C1=C(C=C(C=C1)\C=C\C(OCCCCCCCCCCCCCCC)=O)C(F)(F)F