2,3',4',5-TETRACHLOROBIPHENYL(32598-11-1) 1H NMR
Molecular FormulaC12H6Cl4
Molecular Weight291.99
InChIInChI=1S/C12H6Cl4/c13-8-2-4-10(14)9(6-8)7-1-3-11(15)12(16)5-7/h1-6H
InChIKey KENZYIHFBRWMOD-UHFFFAOYSA-N
SmilesC1(C2=CC=C(Cl)C(Cl)=C2)=CC(Cl)=CC=C1Cl
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Parameter ppm Hz
D(A) 7.391
D(B) 7.276
D(C) 7.294
J(A,B) 8.57
J(A,C) 0.34
J(B,C) 2.56
D(D) 7.506
D(E) 7.497
D(F) 7.250
J(D,E) 0.35
J(D,F) 2.10
J(E,F) 8.32
YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)
Spectral Code: 1H NMR : parameter in CDCl3
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ppm Int. Assign.
139.22 219 1
137.59 254 2
132.57 310 3
132.27 243 4 *
132.20 240 5 *
130.86 1000 6 #
130.85 982 7 #
130.51 761 8
130.42 269 9 *
129.87 757 10
128.90 764 11
128.29 727 12
Spectral Code: 13C NMR : in CDCl3