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

View entire compound with spectra: 1 NMR

3-Fluoro-4-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester
SpectraBase Compound ID J1MJoe3DQPh
InChI InChI=1S/C21H14F4O3/c22-19-12-15(6-11-18(19)21(23,24)25)20(26)28-17-9-7-16(8-10-17)27-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKey BPFSQMGOPHHUMR-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 2GZRJmwnJ9x
Name 3-Fluoro-4-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/c22-19-12-15(6-11-18(19)21(23,24)25)20(26)28-17-9-7-16(8-10-17)27-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKey BPFSQMGOPHHUMR-UHFFFAOYSA-N
Molecular Weight 390.334 g/mol
SMILES C1=CC=C(C=C1)COC1=CC=C(OC(C2=CC(=C(C=C2)C(F)(F)F)F)=O)C=C1