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2,2',3,4,5,5',6-HEPTACHLOROBIPHENYL(52712-05-7) 1H NMR
Product Name2,2',3,4,5,5',6-HEPTACHLOROBIPHENYL
CAS52712-05-7
Molecular FormulaC12H3Cl7
Molecular Weight395.32
InChIInChI=1S/C12H3Cl7/c13-4-1-2-6(14)5(3-4)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H
InChIKey PYZHTHZEHQHHEN-UHFFFAOYSA-N
SmilesC1(C2=CC(Cl)=CC=C2Cl)=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl
parameter in CDCl3
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1H NMR 300 MHz C12 H3 Cl7 0.59 mol% in CDCl3 2,2',3,4,5,5',6-heptachlorobiphenyl 
Parameter ppm Hz
D(A) 7.454 D(B) 7.381 D(C) 7.173 J(A,B) 8.60 J(A,C) 0.34 J(B,C) 2.50 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)
Hz ppm Int.2241.27 7.471 468 2232.73 7.442 1000 2219.02 7.397 657 2216.60 7.389 685 2210.42 7.368 292 2208.00 7.360 335 2153.07 7.177 784 2150.71 7.169 729
in CDCl3
