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

View entire compound with spectra: 1 NMR

Trans-3-(trifluoromethyl)cinnamic acid, octadecyl ester
SpectraBase Compound ID F9EHfQ7pH2C
InChI InChI=1S/C28H43F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-33-27(32)22-21-25-19-18-20-26(24-25)28(29,30)31/h18-22,24H,2-17,23H2,1H3/b22-21+
InChIKey BFSFHQUDZLDFAY-QURGRASLSA-N
Mol Weight 468.6 g/mol
Molecular Formula C28H43F3O2
Exact Mass 468.321515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lxl4loNSI1Y
Name Trans-3-(trifluoromethyl)cinnamic acid, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.321515112 u
Formula C28H43F3O2
InChI InChI=1S/C28H43F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-33-27(32)22-21-25-19-18-20-26(24-25)28(29,30)31/h18-22,24H,2-17,23H2,1H3/b22-21+
InChIKey BFSFHQUDZLDFAY-QURGRASLSA-N
Molecular Weight 468.645 g/mol
SMILES C1=C(C=C(C=C1)\C=C\C(OCCCCCCCCCCCCCCCCCC)=O)C(F)(F)F