Back ChemicalBook Home>CAS DataBase List>38444-93-8More Spectrum> 2,2',3,3'-TETRACHLOROBIPHENYL(38444-93-8) 13C NMR
2,2',3,3'-TETRACHLOROBIPHENYL(38444-93-8) 13C NMR
Product Name2,2',3,3'-TETRACHLOROBIPHENYL
CAS38444-93-8
Molecular FormulaC12H6Cl4
Molecular Weight291.99
InChIInChI=1S/C12H6Cl4/c13-9-5-1-3-7(11(9)15)8-4-2-6-10(14)12(8)16/h1-6H
InChIKey VTLYHLREPCPDKX-UHFFFAOYSA-N
SmilesC1(C2=CC=CC(Cl)=C2Cl)=CC=CC(Cl)=C1Cl
parameter in CDCl3
-
1H NMR 300 MHz C12 H6 Cl4 1.67 mol% in CDCl3 2,2',3,3'-tetrachlorobiphenyl 
Parameter ppm Hz
D(A) 7.511 D(B) 7.259 D(C) 7.142 J(A,B) 8.07 J(A,C) 1.55 J(B,C) 7.66 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)
Hz ppm Int.2258.33 7.528 549 2256.71 7.522 566 2250.33 7.501 679 2248.71 7.496 696 2185.73 7.286 533 2178.03 7.260 1000 2170.08 7.234 662 2146.81 7.156 758 2145.19 7.151 752 2139.16 7.131 504 2137.55 7.125 477
in CDCl3
