Back ChemicalBook Home>CAS DataBase List>55702-45-9More Spectrum> 2,3,6-TRICHLOROBIPHENYL(55702-45-9) 1H NMR
2,3,6-TRICHLOROBIPHENYL(55702-45-9) 1H NMR
Product Name2,3,6-TRICHLOROBIPHENYL
CAS55702-45-9
Molecular FormulaC12H7Cl3
Molecular Weight257.54
InChIInChI=1S/C12H7Cl3/c13-9-6-7-10(14)12(15)11(9)8-4-2-1-3-5-8/h1-7H
InChIKey LVROLHVSYNLFBE-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=C(Cl)C=CC(Cl)=C1Cl
parameter in CDCl3
-
1H NMR 300 MHz C12 H7 Cl3 1.92 mol% in CDCl3 2,3,6-trichlorobiphenyl 
Parameter ppm Hz
D(A) 7.395 D(B) 7.332 J(A,B) 8.67 D(C) 7.219 D(D) 7.462 D(E) 7.421 J(C,C') 1.89 J(C,D) 7.73 J(C,D') 0.62 J(C,E) 1.24 J(C',D) 0.62 J(C',D') 7.73 J(C',E) 1.24 J(D,D') 1.37 J(D,E) 7.53 J(D',E) 7.53 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)
Hz ppm Int.2248.79 7.496 111 2247.03 7.490 84 2246.07 7.487 135 2244.50 7.482 83 2242.52 7.475 93 2239.93 7.466 499 2238.40 7.461 264 2237.13 7.457 169 2234.40 7.448 321 2232.83 7.443 687 2231.13 7.437 524 2229.38 7.431 294 2227.58 7.425 119 2225.02 7.417 246 2223.83 7.413 522 2219.95 7.400 44 2218.69 7.396 56 2217.09 7.390 92 2215.11 7.384 1000 2202.99 7.343 991 2194.32 7.314 409 2177.08 7.257 11 2170.27 7.234 544 2168.42 7.228 496 2166.28 7.221 183 2163.86 7.213 202 2162.19 7.207 462 2160.74 7.202 415 2158.04 7.193 46
in CDCl3
