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Terephthalic acid, ethyl 2,2,2-trifluoro-1-phenylethyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, ethyl 2,2,2-trifluoro-1-phenylethyl ester
SpectraBase Compound ID AvRpmg5eckT
InChI InChI=1S/C18H15F3O4/c1-2-24-16(22)13-8-10-14(11-9-13)17(23)25-15(18(19,20)21)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3
InChIKey IFDHSKQHKMFHEA-UHFFFAOYSA-N
Mol Weight 352.31 g/mol
Molecular Formula C18H15F3O4
Exact Mass 352.092243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CJQdivHWKn
Name Terephthalic acid, ethyl 2,2,2-trifluoro-1-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 352.092243448 u
Formula C18H15F3O4
InChI InChI=1S/C18H15F3O4/c1-2-24-16(22)13-8-10-14(11-9-13)17(23)25-15(18(19,20)21)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3
InChIKey IFDHSKQHKMFHEA-UHFFFAOYSA-N
Molecular Weight 352.309 g/mol
SMILES C1(=CC=C(C=C1)C(OCC)=O)C(=O)OC(C(F)(F)F)C1=CC=CC=C1