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2,2',3,4,5,5'-HEXACHLOROBIPHENYL(52712-04-6) 1H NMR
Product Name2,2',3,4,5,5'-HEXACHLOROBIPHENYL
CAS52712-04-6
Molecular FormulaC12H4Cl6
Molecular Weight360.88
InChIInChI=1S/C12H4Cl6/c13-5-1-2-8(14)6(3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4H
InChIKey UCLKLGIYGBLTSM-UHFFFAOYSA-N
SmilesC1(C2=CC(Cl)=CC=C2Cl)=CC(Cl)=C(Cl)C(Cl)=C1Cl
parameter in CDCl3
-
1H NMR 300 MHz C12 H4 Cl6 0.48 mol% in CDCl3 2,2',3,4,5,5'-hexachlorobiphenyl 
Parameter ppm Hz
D(A) 7.305 D(B) 7.400 D(C) 7.332 D(D) 7.223 J(B,C) 8.60 J(B,D) 0.36 J(C,D) 2.52 YANAGISAWA,M. MAGN.RESON.CHEM. 25, 184 (1987)
Hz ppm Int.2225.06 7.417 225 2216.50 7.388 507 2204.29 7.348 338 2201.85 7.339 371 2195.70 7.319 145 2193.25 7.311 220 2191.50 7.305 1000 2167.99 7.227 403 2165.74 7.219 351
in CDCl3
