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1,3-Benzenediol, o,o'-di(3-trifluoromethylbenzoyl)-

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

1,3-Benzenediol, o,o'-di(3-trifluoromethylbenzoyl)-
SpectraBase Compound ID 664ssuhpjBa
InChI InChI=1S/C22H12F6O4/c23-21(24,25)15-6-1-4-13(10-15)19(29)31-17-8-3-9-18(12-17)32-20(30)14-5-2-7-16(11-14)22(26,27)28/h1-12H
InChIKey RUWZOPIZDVCWRM-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 LQGtCMC0VpE
Name 1,3-Benzenediol, o,o'-di(3-trifluoromethylbenzoyl)-
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)15-6-1-4-13(10-15)19(29)31-17-8-3-9-18(12-17)32-20(30)14-5-2-7-16(11-14)22(26,27)28/h1-12H
InChIKey RUWZOPIZDVCWRM-UHFFFAOYSA-N
Molecular Weight 454.324 g/mol
SMILES C1=C(C=CC=C1OC(=O)C1=CC(C(F)(F)F)=CC=C1)OC(=O)C1=CC(=CC=C1)C(F)(F)F