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2,3,4,5-TETRACHLOROBIPHENYL(33284-53-6) 13C NMR
Product Name2,3,4,5-TETRACHLOROBIPHENYL
CAS33284-53-6
Molecular FormulaC12H6Cl4
Molecular Weight291.99
InChIInChI=1S/C12H6Cl4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h1-6H
InChIKey HLQDGCWIOSOMDP-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC(Cl)=C(Cl)C(Cl)=C1Cl
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Parameter ppm Hz
D(A) 7.384 D(B) 7.360 D(C) 7.432 D(D) 7.408 J(B,B') 1.96 J(B,C) 7.77 J(B,C') 0.59 J(B,D) 1.24 J(B',C) 0.59 J(B',C') 7.77 J(B',D) 1.24 J(C,C') 1.40 J(C,D) 7.54 J(C',D) 7.54 YANAGISAWA,M. MAGN.RESON.CHEM. 25, 184 (1987)Spectral Code: 1H NMR : parameter in CDCl3
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ppm Int. Assign.
140.93 144 1 137.50 163 2 133.59 95 3 131.73 161 4 131.60 102 5 131.06 109 6 129.56 502 7 128.75 1000 8 128.22 523 9 128.03 949 10Spectral Code: 13C NMR : in CDCl3