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

View entire compound with spectra: 1 NMR

1,3-Benzenediol, o-(3-bromobenzoyl)-o'-(2-trifluoromethylbenzoyl)-
SpectraBase Compound ID Bv7GBWeL4Vx
InChI InChI=1S/C21H12BrF3O4/c22-14-6-3-5-13(11-14)19(26)28-15-7-4-8-16(12-15)29-20(27)17-9-1-2-10-18(17)21(23,24)25/h1-12H
InChIKey VUBKDXJNDKBNBG-UHFFFAOYSA-N
Mol Weight 465.22 g/mol
Molecular Formula C21H12BrF3O4
Exact Mass 463.987106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNIsz4U1XcF
Name 1,3-Benzenediol, o-(3-bromobenzoyl)-o'-(2-trifluoromethylbenzoyl)-
Comments Computed using HOSE algorithm
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Exact Mass 463.987106351 u
Formula C21H12BrF3O4
InChI InChI=1S/C21H12BrF3O4/c22-14-6-3-5-13(11-14)19(26)28-15-7-4-8-16(12-15)29-20(27)17-9-1-2-10-18(17)21(23,24)25/h1-12H
InChIKey VUBKDXJNDKBNBG-UHFFFAOYSA-N
Molecular Weight 465.222 g/mol
SMILES C1(=CC(=CC=C1)OC(C1=CC=CC=C1C(F)(F)F)=O)OC(=O)C1=CC(=CC=C1)Br