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1,3-Benzendiol, o-(4-methylbenzoyl)-o'-(2-trifluoromethylbenzoyl)-

View entire compound with spectra: 1 NMR

1,3-Benzendiol, o-(4-methylbenzoyl)-o'-(2-trifluoromethylbenzoyl)-
SpectraBase Compound ID C9mjwFjvK4h
InChI InChI=1S/C22H15F3O4/c1-14-9-11-15(12-10-14)20(26)28-16-5-4-6-17(13-16)29-21(27)18-7-2-3-8-19(18)22(23,24)25/h2-13H,1H3
InChIKey KBFCUBYRGUBIBO-UHFFFAOYSA-N
Mol Weight 400.35 g/mol
Molecular Formula C22H15F3O4
Exact Mass 400.092243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JyTEzplsy9G
Name 1,3-Benzendiol, o-(4-methylbenzoyl)-o'-(2-trifluoromethylbenzoyl)-
Comments Computed using HOSE algorithm
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Exact Mass 400.092243448 u
Formula C22H15F3O4
InChI InChI=1S/C22H15F3O4/c1-14-9-11-15(12-10-14)20(26)28-16-5-4-6-17(13-16)29-21(27)18-7-2-3-8-19(18)22(23,24)25/h2-13H,1H3
InChIKey KBFCUBYRGUBIBO-UHFFFAOYSA-N
Molecular Weight 400.353 g/mol
SMILES C1=C(C=CC=C1OC(=O)C=1C=CC(C)=CC1)OC(=O)C1=C(C(F)(F)F)C=CC=C1