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4-Fluoro-2-trifluoromethylbenzoic acid, 2-biphenyl ester

View entire compound with spectra: 1 NMR

4-Fluoro-2-trifluoromethylbenzoic acid, 2-biphenyl ester
SpectraBase Compound ID DR5Ut3fYwxg
InChI InChI=1S/C20H12F4O2/c21-14-10-11-16(17(12-14)20(22,23)24)19(25)26-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H
InChIKey MTWXVSZWYQMZBA-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 i6Ucqs88c8
Name 4-Fluoro-2-trifluoromethylbenzoic acid, 2-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/c21-14-10-11-16(17(12-14)20(22,23)24)19(25)26-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h1-12H
InChIKey MTWXVSZWYQMZBA-UHFFFAOYSA-N
Molecular Weight 360.308 g/mol
SMILES C(C1=C(C=C(C=C1)F)C(F)(F)F)(OC=1C(C2=CC=CC=C2)=CC=CC1)=O