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1,2-Benzenediol, o-(2-bromobenzoyl)-o'-(2-trifluoromethylbenzoyl)-

View entire compound with spectra: 1 NMR

1,2-Benzenediol, o-(2-bromobenzoyl)-o'-(2-trifluoromethylbenzoyl)-
SpectraBase Compound ID 4XOfqH4YMub
InChI InChI=1S/C21H12BrF3O4/c22-16-10-4-2-8-14(16)20(27)29-18-12-6-5-11-17(18)28-19(26)13-7-1-3-9-15(13)21(23,24)25/h1-12H
InChIKey VEZFZZXLBAYYCC-UHFFFAOYSA-N
Mol Weight 465.22 g/mol
Molecular Formula C21H12BrF3O4
Exact Mass 463.987106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LCOL0n5RT3I
Name 1,2-Benzenediol, o-(2-bromobenzoyl)-o'-(2-trifluoromethylbenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.987106351 u
Formula C21H12BrF3O4
InChI InChI=1S/C21H12BrF3O4/c22-16-10-4-2-8-14(16)20(27)29-18-12-6-5-11-17(18)28-19(26)13-7-1-3-9-15(13)21(23,24)25/h1-12H
InChIKey VEZFZZXLBAYYCC-UHFFFAOYSA-N
Molecular Weight 465.222 g/mol
SMILES C1(=CC=CC=C1OC(=O)C=1C(C(F)(F)F)=CC=CC1)OC(=O)C1=CC=CC=C1Br