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3-Fluoro-5-trifluoromethylbenzoic acid, 2-biphenyl ester

View entire compound with spectra: 1 NMR

3-Fluoro-5-trifluoromethylbenzoic acid, 2-biphenyl ester
SpectraBase Compound ID 1XwPnDTpBGR
InChI InChI=1S/C20H12F4O2/c21-16-11-14(10-15(12-16)20(22,23)24)19(25)26-18-9-5-4-8-17(18)13-6-2-1-3-7-13/h1-12H
InChIKey MPLIYUSDNTVCPP-UHFFFAOYSA-N
Mol Weight 360.31 g/mol
Molecular Formula C20H12F4O2
Exact Mass 360.077342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hr7QmeNSZsS
Name 3-Fluoro-5-trifluoromethylbenzoic acid, 2-biphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 360.077342276 u
Formula C20H12F4O2
InChI InChI=1S/C20H12F4O2/c21-16-11-14(10-15(12-16)20(22,23)24)19(25)26-18-9-5-4-8-17(18)13-6-2-1-3-7-13/h1-12H
InChIKey MPLIYUSDNTVCPP-UHFFFAOYSA-N
Molecular Weight 360.308 g/mol
SMILES C1=C(C=C(C=C1C(F)(F)F)F)C(=O)OC=1C(C2=CC=CC=C2)=CC=CC1