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

View entire compound with spectra: 1 NMR

Trans-3-(trifluoromethyl)cinnamic acid, tridecyl ester
SpectraBase Compound ID 3pu5yzMKnLJ
InChI InChI=1S/C23H33F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-28-22(27)17-16-20-14-13-15-21(19-20)23(24,25)26/h13-17,19H,2-12,18H2,1H3/b17-16+
InChIKey OEPZSYJJQMQICC-WUKNDPDISA-N
Mol Weight 398.5 g/mol
Molecular Formula C23H33F3O2
Exact Mass 398.243265 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGXoHS2ozhA
Name Trans-3-(trifluoromethyl)cinnamic acid, tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.243264790 u
Formula C23H33F3O2
InChI InChI=1S/C23H33F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-28-22(27)17-16-20-14-13-15-21(19-20)23(24,25)26/h13-17,19H,2-12,18H2,1H3/b17-16+
InChIKey OEPZSYJJQMQICC-WUKNDPDISA-N
Molecular Weight 398.510 g/mol
SMILES C1=C(C=C(C=C1)\C=C\C(OCCCCCCCCCCCCC)=O)C(F)(F)F