Back ChemicalBook Home>CAS DataBase List>41464-51-1More Spectrum> 2,2',3',4,5-PENTACHLOROBIPHENYL(41464-51-1) 1H NMR
2,2',3',4,5-PENTACHLOROBIPHENYL(41464-51-1) 1H NMR
Product Name2,2',3',4,5-PENTACHLOROBIPHENYL
CAS41464-51-1
Molecular FormulaC12H5Cl5
Molecular Weight326.43
InChIInChI=1S/C12H5Cl5/c13-8-3-1-2-6(12(8)17)7-4-10(15)11(16)5-9(7)14/h1-5H
InChIKey JTUSORDQZVOEAZ-UHFFFAOYSA-N
SmilesC1(C2=CC(Cl)=C(Cl)C=C2Cl)=CC=CC(Cl)=C1Cl
parameter in CDCl3
-
1H NMR 300 MHz C12 H5 Cl5 0.56 mol% in CDCl3 2,2',3,4',5'-pentachlorobiphenyl 
Parameter ppm Hz
D(A) 7.595 D(B) 7.355 J(A,B) 0.33 D(C) 7.525 D(D) 7.264 D(E) 7.132 J(C,D) 8.08 J(C,E) 1.55 J(D,E) 7.67 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)
Hz ppm Int.2278.50 7.595 1000 2262.53 7.542 280 2260.93 7.536 288 2254.51 7.515 344 2252.90 7.510 351 2206.50 7.355 1000 2187.21 7.291 276 2179.49 7.265 501 2171.52 7.238 329 2143.86 7.146 377 2142.25 7.141 373 2136.20 7.121 262 2134.59 7.115 250
in CDCl3
