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2,3,4-TRICHLOROBIPHENYL(55702-46-0) 1H NMR
Product Name2,3,4-TRICHLOROBIPHENYL
CAS55702-46-0
Molecular FormulaC12H7Cl3
Molecular Weight257.54
InChIInChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H
InChIKey IUYHQGMDSZOPDZ-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(Cl)C(Cl)=C1Cl
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Parameter ppm Hz
D(A) 7.406 D(B) 7.164 J(A,B) 8.35 D(C) 7.364 D(D) 7.426 D(E) 7.392 J(C,C') 1.92 J(C,D) 7.73 J(C,D') 0.65 J(C,E) 1.27 J(C',D) 0.65 J(C',D') 7.73 J(C',E) 1.27 J(D,D') 1.29 J(D,E) 7.50 J(D',E) 7.50 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)Spectral Code: 1H NMR : parameter in CDCl3
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ppm Int. Assign.
140.88 131 1 138.43 141 2 132.83 138 3 132.63 76 4 132.03 80 5 128.86 678 6 128.84 1000 7 127.89 1000 8 127.81 505 9 * 127.69 494 10 *Spectral Code: 13C NMR : in CDCl3