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

View entire compound with spectra: 1 NMR, and 1 FTIR

1,2-Benzenediol, o-(2-chlorobenzoyl)-o'-(2-trifluoromethylbenzoyl)-
SpectraBase Compound ID FrBmsqlBhpi
InChI InChI=1S/C21H12ClF3O4/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 PNCRSPAVNLRTJW-UHFFFAOYSA-N
Mol Weight 420.77 g/mol
Molecular Formula C21H12ClF3O4
Exact Mass 420.037621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 71fHnkyH58y
Name 1,2-Benzenediol, o-(2-chlorobenzoyl)-o'-(2-trifluoromethylbenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.037621051 u
Formula C21H12ClF3O4
InChI InChI=1S/C21H12ClF3O4/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 PNCRSPAVNLRTJW-UHFFFAOYSA-N
Molecular Weight 420.771 g/mol
SMILES C1(=CC=CC=C1OC(=O)C=1C(C(F)(F)F)=CC=CC1)OC(=O)C1=CC=CC=C1Cl