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2,2',3,5,5',6-HEXACHLOROBIPHENYL(52663-63-5) 1H NMR
Product Name2,2',3,5,5',6-HEXACHLOROBIPHENYL
CAS52663-63-5
Molecular FormulaC12H4Cl6
Molecular Weight360.88
InChIInChI=1S/C12H4Cl6/c13-5-1-2-7(14)6(3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H
InChIKey UHCLFIWDCYOTOL-UHFFFAOYSA-N
SmilesC1(C2=CC(Cl)=CC=C2Cl)=C(Cl)C(Cl)=CC(Cl)=C1Cl
parameter in CDCl3
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1H NMR 300 MHz C12 H4 Cl6 0.72 mol% in CDCl3 2,2',3,5,5',6-hexachlorobiphenyl 
Parameter ppm Hz
D(A) 7.679 D(B) 7.451 D(C) 7.374 D(D) 7.177 J(B,C) 8.61 J(B,D) 0.35 J(C,D) 2.52 YANAGISAWA,M. MAGN.RESON.CHEM. 25, 184 (1987)
Hz ppm Int.2303.70 7.679 1000 2240.33 7.468 249 2231.79 7.439 515 2216.98 7.390 338 2214.53 7.382 355 2208.37 7.361 156 2205.93 7.353 180 2154.28 7.181 408 2151.90 7.173 377
in CDCl3
