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1,3-Benzenediol, o,o'-di(2-trifluoromethylbenzoyl)-

View entire compound with spectra: 1 NMR

1,3-Benzenediol, o,o'-di(2-trifluoromethylbenzoyl)-
SpectraBase Compound ID 9LSmkfAPg3m
InChI InChI=1S/C22H12F6O4/c23-21(24,25)17-10-3-1-8-15(17)19(29)31-13-6-5-7-14(12-13)32-20(30)16-9-2-4-11-18(16)22(26,27)28/h1-12H
InChIKey ZCEVTJFITDXMKO-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 EuQrOqaLg3F
Name 1,3-Benzenediol, o,o'-di(2-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)17-10-3-1-8-15(17)19(29)31-13-6-5-7-14(12-13)32-20(30)16-9-2-4-11-18(16)22(26,27)28/h1-12H
InChIKey ZCEVTJFITDXMKO-UHFFFAOYSA-N
Molecular Weight 454.324 g/mol
SMILES C1(=CC=CC(=C1)OC(=O)C1=C(C=CC=C1)C(F)(F)F)OC(C1=CC=CC=C1C(F)(F)F)=O