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1,2-Benzenediol, o-(4-methoxybenzoyl)-o'-(2-trifluoromethylbenzoyl)-

View entire compound with spectra: 1 NMR

1,2-Benzenediol, o-(4-methoxybenzoyl)-o'-(2-trifluoromethylbenzoyl)-
SpectraBase Compound ID A9uCYTLJhyV
InChI InChI=1S/C22H15F3O5/c1-28-15-12-10-14(11-13-15)20(26)29-18-8-4-5-9-19(18)30-21(27)16-6-2-3-7-17(16)22(23,24)25/h2-13H,1H3
InChIKey VOHRPNRDDISOSO-UHFFFAOYSA-N
Mol Weight 416.35 g/mol
Molecular Formula C22H15F3O5
Exact Mass 416.087158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DYNPl6VzVxh
Name 1,2-Benzenediol, o-(4-methoxybenzoyl)-o'-(2-trifluoromethylbenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.087158067 u
Formula C22H15F3O5
InChI InChI=1S/C22H15F3O5/c1-28-15-12-10-14(11-13-15)20(26)29-18-8-4-5-9-19(18)30-21(27)16-6-2-3-7-17(16)22(23,24)25/h2-13H,1H3
InChIKey VOHRPNRDDISOSO-UHFFFAOYSA-N
Molecular Weight 416.352 g/mol
SMILES C(C1=CC=CC=C1C(OC=1C(=CC=CC1)OC(C1=CC=C(C=C1)OC)=O)=O)(F)(F)F