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2,2',5,5'-TETRACHLOROBIPHENYL(35693-99-3) 13C NMR
Product Name2,2',5,5'-TETRACHLOROBIPHENYL
CAS35693-99-3
Molecular FormulaC12H6Cl4
Molecular Weight291.99
InChIInChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H
InChIKey HCWZEPKLWVAEOV-UHFFFAOYSA-N
SmilesC1(C2=CC(Cl)=CC=C2Cl)=CC(Cl)=CC=C1Cl
parameter in CDCl3
-
1H NMR 300 MHz C12 H6 Cl4 2.38 mol% in CDCl3 2,2',5,5'-tetrachlorobiphenyl 
Parameter ppm Hz
D(A) 7.399 D(B) 7.318 D(C) 7.252 J(A,B) 8.59 J(A,C) 0.34 J(B,C) 2.55 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)
Hz ppm Int.2224.65 7.415 503 2216.11 7.387 1000 2200.27 7.334 627 2197.78 7.326 740 2191.71 7.306 276 2189.23 7.297 416 2176.70 7.256 867 2174.36 7.248 682
in CDCl3
