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Trans-3-trifluoromethylcinnamic acid, 3,5-dimethylphenyl ester

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Trans-3-trifluoromethylcinnamic acid, 3,5-dimethylphenyl ester
SpectraBase Compound ID JAXILwv8SzR
InChI InChI=1S/C18H15F3O2/c1-12-8-13(2)10-16(9-12)23-17(22)7-6-14-4-3-5-15(11-14)18(19,20)21/h3-11H,1-2H3/b7-6+
InChIKey PHEVAQCWROUTOW-VOTSOKGWSA-N
Mol Weight 320.31 g/mol
Molecular Formula C18H15F3O2
Exact Mass 320.102414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CenrUNfWj16
Name Trans-3-trifluoromethylcinnamic acid, 3,5-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 320.102414210 u
Formula C18H15F3O2
InChI InChI=1S/C18H15F3O2/c1-12-8-13(2)10-16(9-12)23-17(22)7-6-14-4-3-5-15(11-14)18(19,20)21/h3-11H,1-2H3/b7-6+
InChIKey PHEVAQCWROUTOW-VOTSOKGWSA-N
Molecular Weight 320.311 g/mol
SMILES C1(=CC=CC(=C1)\C=C\C(OC1=CC(=CC(C)=C1)C)=O)C(F)(F)F