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2,2',4,5,5'-PENTACHLOROBIPHENYL(37680-73-2) 1H NMR
Product Name2,2',4,5,5'-PENTACHLOROBIPHENYL
CAS37680-73-2
Molecular FormulaC12H5Cl5
Molecular Weight326.43
InChIInChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H
InChIKey LAHWLEDBADHJGA-UHFFFAOYSA-N
SmilesC1(C2=CC(Cl)=CC=C2Cl)=CC(Cl)=C(Cl)C=C1Cl
parameter in CDCl3
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1H NMR 300 MHz C12 H5 Cl5 1.5 mol% in CDCl3 2,2',4,5,5'-pentachlorobiphenyl 
Parameter ppm Hz
D(A) 7.601 D(B) 7.363 J(A,B) 0.33 D(C) 7.414 D(D) 7.342 D(E) 7.243 J(C,D) 8.60 J(C,E) 0.35 J(D,E) 2.54 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)
Hz ppm Int.2280.30 7.601 974 2229.24 7.431 276 2220.69 7.402 598 2208.89 7.363 1000 2207.37 7.358 455 2204.89 7.350 441 2198.77 7.329 165 2196.31 7.321 217 2174.02 7.247 482 2171.71 7.239 413
in CDCl3
