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

View entire compound with spectra: 1 NMR

Trans-3-(trifluoromethyl)cinnamic acid, decyl ester
SpectraBase Compound ID 8QW11oJALrF
InChI InChI=1S/C20H27F3O2/c1-2-3-4-5-6-7-8-9-15-25-19(24)14-13-17-11-10-12-18(16-17)20(21,22)23/h10-14,16H,2-9,15H2,1H3/b14-13+
InChIKey BVYALUOSXKFCHD-BUHFOSPRSA-N
Mol Weight 356.43 g/mol
Molecular Formula C20H27F3O2
Exact Mass 356.196315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ej8Bp89kl6e
Name Trans-3-(trifluoromethyl)cinnamic acid, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.196314596 u
Formula C20H27F3O2
InChI InChI=1S/C20H27F3O2/c1-2-3-4-5-6-7-8-9-15-25-19(24)14-13-17-11-10-12-18(16-17)20(21,22)23/h10-14,16H,2-9,15H2,1H3/b14-13+
InChIKey BVYALUOSXKFCHD-BUHFOSPRSA-N
Molecular Weight 356.429 g/mol
SMILES C1(=CC=CC(=C1)\C=C\C(OCCCCCCCCCC)=O)C(F)(F)F