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3-Fluoro-5-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester

View entire compound with spectra: 1 NMR

3-Fluoro-5-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester
SpectraBase Compound ID LlfLeUN5aRN
InChI InChI=1S/C21H14F4O3/c22-17-11-15(10-16(12-17)21(23,24)25)20(26)28-19-8-6-18(7-9-19)27-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKey VJQOGSRYYFIWTC-UHFFFAOYSA-N
Mol Weight 390.33 g/mol
Molecular Formula C21H14F4O3
Exact Mass 390.087907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jv6nCuqGtB
Name 3-Fluoro-5-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.087906960 u
Formula C21H14F4O3
InChI InChI=1S/C21H14F4O3/c22-17-11-15(10-16(12-17)21(23,24)25)20(26)28-19-8-6-18(7-9-19)27-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKey VJQOGSRYYFIWTC-UHFFFAOYSA-N
Molecular Weight 390.334 g/mol
SMILES C1=C(C=C(C=C1C(F)(F)F)F)C(=O)OC1=CC=C(OCC2=CC=CC=C2)C=C1