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2-Fluoro-6-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester

View entire compound with spectra: 1 NMR

2-Fluoro-6-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester
SpectraBase Compound ID B0kQ0MFXGiu
InChI InChI=1S/C21H14F4O3/c22-18-8-4-7-17(21(23,24)25)19(18)20(26)28-16-11-9-15(10-12-16)27-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKey QEBQRWZQVIAWNA-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 Ge4FwmcOCfy
Name 2-Fluoro-6-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/c22-18-8-4-7-17(21(23,24)25)19(18)20(26)28-16-11-9-15(10-12-16)27-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKey QEBQRWZQVIAWNA-UHFFFAOYSA-N
Molecular Weight 390.334 g/mol
SMILES C1=CC=C(C=C1)COC1=CC=C(OC(C2=C(C(F)(F)F)C=CC=C2F)=O)C=C1