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

View entire compound with spectra: 1 NMR

2-Fluoro-3-trifluoromethylbenzoic acid, 4-benzyloxyphenyl ester
SpectraBase Compound ID BllDVhh48mW
InChI InChI=1S/C21H14F4O3/c22-19-17(7-4-8-18(19)21(23,24)25)20(26)28-16-11-9-15(10-12-16)27-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKey UHJLUJULWCGDRF-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 IOjP2nC8hUf
Name 2-Fluoro-3-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/c22-19-17(7-4-8-18(19)21(23,24)25)20(26)28-16-11-9-15(10-12-16)27-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKey UHJLUJULWCGDRF-UHFFFAOYSA-N
Molecular Weight 390.334 g/mol
SMILES C1=CC=C(C=C1)COC1=CC=C(OC(C2=C(C(=CC=C2)C(F)(F)F)F)=O)C=C1