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2,4,4'-TRICHLOROBIPHENYL(7012-37-5) 13C NMR
Product Name2,4,4'-TRICHLOROBIPHENYL
CAS7012-37-5
Molecular FormulaC12H7Cl3
Molecular Weight257.54
InChIInChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H
InChIKey BZTYNSQSZHARAZ-UHFFFAOYSA-N
SmilesC1(C2=CC=C(Cl)C=C2)=CC=C(Cl)C=C1Cl
parameter in CDCl3
-
1H NMR 300 MHz C12 H7 Cl3 1.26 mol% in CDCl3 2,4,4'-trichlorobiphenyl 
Parameter ppm Hz
D(A) 7.501 D(B) 7.304 D(C) 7.246 J(A,B) 2.13 J(A,C) 0.34 J(B,C) 8.26 D(D) 7.413 D(E) 7.347 J(D,D') 2.29 J(D,E) 8.29 J(D,E') 0.44 J(D',E) 0.44 J(D',E') 8.29 J(E,E') 2.29 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)
Hz ppm Int.2251.27 7.504 453 2249.35 7.498 484 2231.29 7.438 58 2229.15 7.430 416 2226.97 7.423 186 2222.67 7.409 276 2220.44 7.401 1000 2218.35 7.394 182 2209.66 7.366 183 2207.56 7.359 1000 2205.33 7.351 277 2201.03 7.337 189 2198.85 7.329 428 2197.27 7.324 230 2195.23 7.317 174 2189.01 7.297 447 2186.97 7.290 433 2176.97 7.257 641 2168.81 7.229 258
in CDCl3
