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2,2',3,4,5'-PENTACHLOROBIPHENYL(38380-02-8) 13C NMR
Product Name2,2',3,4,5'-PENTACHLOROBIPHENYL
CAS38380-02-8
Molecular FormulaC12H5Cl5
Molecular Weight326.43
InChIInChI=1S/C12H5Cl5/c13-6-1-3-9(14)8(5-6)7-2-4-10(15)12(17)11(7)16/h1-5H
InChIKey OPKYDBFRKPQCBS-UHFFFAOYSA-N
SmilesC1(C2=CC(Cl)=CC=C2Cl)=CC=C(Cl)C(Cl)=C1Cl
parameter in CDCl3
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1H NMR 300 MHz C12 H5 Cl5 2.64 mol% in CDCl3 2,2',3,4,5'-pentachlorobiphenyl 
Parameter ppm Hz
D(A) 7.441 D(B) 7.093 J(A,B) 8.31 D(C) 7.402 D(D) 7.324 D(E) 7.228 J(C,D) 8.60 J(C,E) 0.34 J(D,E) 2.54 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)
Hz ppm Int.2236.62 7.455 843 2228.31 7.428 1000 2225.64 7.419 478 2217.06 7.390 938 2202.02 7.340 595 2199.55 7.332 665 2193.43 7.311 267 2190.96 7.303 351 2169.56 7.232 775 2167.17 7.224 659 2131.89 7.106 987 2123.58 7.079 842
in CDCl3
