Product Name2,3-Dichlorobiphenyl
CAS16605-91-7
Molecular FormulaC12H8Cl2
Molecular Weight223.1
InChIInChI=1S/C12H8Cl2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8H
InChIKey XOMKZKJEJBZBJJ-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=CC(Cl)=C1Cl
Parameter ppm Hz
D(A) 7.446 D(B) 7.222 D(C) 7.218 J(A,B) 8.11 J(A,C) 1.50 J(B,C) 7.67 D(D) 7.393 D(E) 7.424 D(F) 7.385 J(D,D') 2.02 J(D,E) 7.74 J(D,E') 0.67 J(D,F) 1.25 J(D',E) 0.67 J(D',E') 7.74 J(D',F) 1.25 J(E,E') 1.39 J(E,F) 7.45 J(E',F) 7.45 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)
ppm Int. Assign.
142.59 114 1 139.00 131 2 133.31 115 3 130.91 80 4 129.08 605 5 * 129.05 577 6 * 128.90 1000 7 127.76 983 8 127.55 519 9 * 126.69 474 10
2,3-Dichlorobiphenyl (16605-91-7) 1H NMR Atlas of Related Products