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

View entire compound with spectra: 1 NMR

3-Fluoro-4-trifluoromethylbenzoic acid, 4-biphenyl ester
SpectraBase Compound ID 3naGIEstI8W
InChI InChI=1S/C20H12F4O2/c21-18-12-15(8-11-17(18)20(22,23)24)19(25)26-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12H
InChIKey AFZSPWLCQLHGQO-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 AYEFNxVTD7G
Name 3-Fluoro-4-trifluoromethylbenzoic acid, 4-biphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.077342276 u
Formula C20H12F4O2
InChI InChI=1S/C20H12F4O2/c21-18-12-15(8-11-17(18)20(22,23)24)19(25)26-16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12H
InChIKey AFZSPWLCQLHGQO-UHFFFAOYSA-N
Molecular Weight 360.308 g/mol
SMILES C1=C(C=CC(=C1F)C(F)(F)F)C(=O)OC1=CC=C(C2=CC=CC=C2)C=C1