2,2',4,5'-TETRACHLOROBIPHENYL(41464-40-8) ¹³C NMR

Product Name2,2',4,5'-TETRACHLOROBIPHENYL

CAS 41464-40-8

Molecular FormulaC12H6Cl4

Molecular Weight291.99

InChIInChI=1S/C12H6Cl4/c13-7-2-4-11(15)10(5-7)9-3-1-8(14)6-12(9)16/h1-6H

InChIKey ZWPVHELAQPIZHO-UHFFFAOYSA-N

SmilesC1(C2=CC(Cl)=CC=C2Cl)=CC=C(Cl)C=C1Cl

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¹HNMR

¹³CNMR

    Parameter     ppm  Hz

      D(A)         7.500
      D(B)         7.310
      D(C)         7.175
       J(A,B)          2.10
       J(A,C)          0.35
       J(B,C)          8.23
     
      D(D)         7.396
      D(E)         7.310
      D(F)         7.241
       J(D,E)          8.59
       J(D,F)          0.35
       J(E,F)          2.55
     
     YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)

Spectral Code: 1H NMR : parameter in CDCl3

       ppm   Int.  Assign.

      138.44   214      1
      135.43   213      2
      134.75   248      3
      134.03   211      4
      132.21   259      5
      131.73   231      6
      131.43   825      7
      130.73   811      8
      130.32   820      9
      129.25   949     10
      129.23  1000     11
      126.73   750     12

Spectral Code: 13C NMR : in CDCl3

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2,2',4,5'-TETRACHLOROBIPHENYL(41464-40-8) 13C NMR

2,2',4,5'-TETRACHLOROBIPHENYL(41464-40-8) ¹³C NMR