38380-02-8

2,2',3,4,5'-PENTACHLOROBIPHENYL(38380-02-8) ¹³C NMR

Product Name2,2',3,4,5'-PENTACHLOROBIPHENYL

CAS 38380-02-8

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

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¹HNMR

¹³CNMR

parameter in CDCl3

2,2',3,4,5'-PENTACHLOROBIPHENYL(38380-02-8) <sup>13</sup>C NMR

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

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2,2',3,4,5'-PENTACHLOROBIPHENYL(38380-02-8) 13C NMR

2,2',3,4,5'-PENTACHLOROBIPHENYL(38380-02-8) ¹³C NMR