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3,3'-DIBROMO-4''-TRIFLUOROMETHYL-2,4'-DIHYDROXYTRIPHENYLMETHANE
SpectraBase Compound ID 72Q6dl4KQ8U
InChI InChI=1S/C20H13Br2F3O2/c21-15-3-1-2-14(19(15)27)18(12-6-9-17(26)16(22)10-12)11-4-7-13(8-5-11)20(23,24)25/h1-10,18,26-27H
InChIKey QGFQZXGCZYMPJN-UHFFFAOYSA-N
Mol Weight 502.13 g/mol
Molecular Formula C20H13Br2F3O2
Exact Mass 499.92344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FD6HqFhfJjj
Name 3,3'-DIBROMO-4''-TRIFLUOROMETHYL-2,4'-DIHYDROXYTRIPHENYLMETHANE
Compound Number 3'E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H13Br2F3O2
InChI InChI=1S/C20H13Br2F3O2/c21-15-3-1-2-14(19(15)27)18(12-6-9-17(26)16(22)10-12)11-4-7-13(8-5-11)20(23,24)25/h1-10,18,26-27H
InChIKey QGFQZXGCZYMPJN-UHFFFAOYSA-N
Literature Reference Author N.MIBU,K.YOKOMIZO,M.UYEDA,K.SUMOTO
Literature Reference Citation CHEM.PHARM.BULL.,53,1171(2005)
Literature Reference DOI 10.1248/cpb.53.1171
Molecular Weight 502.125 g/mol
Sample ID 54105
Solvent CDCl3