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1,2-Benzenediol, o,o'-di(2-(trifluoromethyl)benzoyl)-

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

1,2-Benzenediol, o,o'-di(2-(trifluoromethyl)benzoyl)-
SpectraBase Compound ID FvbExpmKacM
InChI InChI=1S/C22H12F6O4/c23-21(24,25)15-9-3-1-7-13(15)19(29)31-17-11-5-6-12-18(17)32-20(30)14-8-2-4-10-16(14)22(26,27)28/h1-12H
InChIKey XZZGRGNDVDANHR-UHFFFAOYSA-N
Mol Weight 454.32 g/mol
Molecular Formula C22H12F6O4
Exact Mass 454.063978 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Em2lxkJQS6o
Name 1,2-Benzenediol, o,o'-di(2-(trifluoromethyl)benzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.063977840 u
Formula C22H12F6O4
InChI InChI=1S/C22H12F6O4/c23-21(24,25)15-9-3-1-7-13(15)19(29)31-17-11-5-6-12-18(17)32-20(30)14-8-2-4-10-16(14)22(26,27)28/h1-12H
InChIKey XZZGRGNDVDANHR-UHFFFAOYSA-N
Molecular Weight 454.324 g/mol
SMILES C1=CC=C(C(=C1)C(F)(F)F)C(OC1=CC=CC=C1OC(C1=C(C=CC=C1)C(F)(F)F)=O)=O