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Trans-3-(trifluoromethyl)cinnamic acid, undec-10-enyl ester
SpectraBase Compound ID 8fCWYRzVnyS
InChI InChI=1S/C21H27F3O2/c1-2-3-4-5-6-7-8-9-10-16-26-20(25)15-14-18-12-11-13-19(17-18)21(22,23)24/h2,11-15,17H,1,3-10,16H2/b15-14+
InChIKey WGVDTYLVCIVLJL-CCEZHUSRSA-N
Mol Weight 368.44 g/mol
Molecular Formula C21H27F3O2
Exact Mass 368.196315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CHhs6AH5tZv
Name Trans-3-(trifluoromethyl)cinnamic acid, undec-10-enyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.196314596 u
Formula C21H27F3O2
InChI InChI=1S/C21H27F3O2/c1-2-3-4-5-6-7-8-9-10-16-26-20(25)15-14-18-12-11-13-19(17-18)21(22,23)24/h2,11-15,17H,1,3-10,16H2/b15-14+
InChIKey WGVDTYLVCIVLJL-CCEZHUSRSA-N
Molecular Weight 368.440 g/mol
SMILES C1(=CC=CC(=C1)\C=C\C(OCCCCCCCCCC=C)=O)C(F)(F)F