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2,4,6-TRICHLOROBIPHENYL(35693-92-6) 1H NMR
Product Name2,4,6-TRICHLOROBIPHENYL
CAS35693-92-6
Molecular FormulaC12H7Cl3
Molecular Weight257.54
InChIInChI=1S/C12H7Cl3/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H
InChIKey MTLMVEWEYZFYTH-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=C(Cl)C=C(Cl)C=C1Cl
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Parameter ppm Hz
D(A) 7.410 D(B) 7.217 D(C) 7.443 D(D) 7.406 J(B,B') 1.87 J(B,C) 7.71 J(B,C') 0.64 J(B,D) 1.25 J(B',C) 0.64 J(B',C') 7.71 J(B',D) 1.25 J(C,C') 1.36 J(C,D) 7.55 J(C',D) 7.55 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)Spectral Code: 1H NMR : parameter in CDCl3
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ppm Int. Assign.
138.04 113 1 135.75 138 2 135.31 246 3 133.57 149 4 129.18 870 5 128.01 608 6 127.98 993 7 * 127.74 1000 8 *Spectral Code: 13C NMR : in CDCl3