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Trans-3-trifluoromethylcinnamic acid, oct-3-en-2-yl ester

View entire compound with spectra: 1 NMR

Trans-3-trifluoromethylcinnamic acid, oct-3-en-2-yl ester
SpectraBase Compound ID mUUze8Th38
InChI InChI=1S/C18H21F3O2/c1-3-4-5-6-8-14(2)23-17(22)12-11-15-9-7-10-16(13-15)18(19,20)21/h6-14H,3-5H2,1-2H3/b8-6+,12-11+
InChIKey WGSNWDBLWAUYTH-ZTUQJBCJSA-N
Mol Weight 326.36 g/mol
Molecular Formula C18H21F3O2
Exact Mass 326.149364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Euygse6O0v6
Name Trans-3-trifluoromethylcinnamic acid, oct-3-en-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 326.149364403 u
Formula C18H21F3O2
InChI InChI=1S/C18H21F3O2/c1-3-4-5-6-8-14(2)23-17(22)12-11-15-9-7-10-16(13-15)18(19,20)21/h6-14H,3-5H2,1-2H3/b8-6+,12-11+
InChIKey WGSNWDBLWAUYTH-ZTUQJBCJSA-N
Molecular Weight 326.359 g/mol
SMILES C1(=CC(=CC=C1)C(F)(F)F)\C=C\C(OC(C)\C=C\CCCC)=O