Product NameCIS-CHLORDANE
CAS5103-71-9
Molecular FormulaC10H6Cl8
Molecular Weight409.78
InChIInChI=1/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/s3
InChIKey BIWJNBZANLAXMG-PEXLGIJSNA-N
Smiles[C@@H]1(Cl)[C@]2([H])[C@@]([H])([C@@]3(Cl)C(Cl)(Cl)[C@]2(Cl)C(Cl)=C3Cl)C[C@@H]1Cl |&1:0,2,4,6,11,18,r|
Parameter ppm Hz
D(A) 4.439 D(B) 3.967 D(C) 3.548 D(D) 3.743 D(E) 2.427 D(F) 1.819 J(A,B) 4.2 J(A,C) 0.0 J(A,D) 0.0 J(A,E) 2.2 J(A,F) 4.5 J(B,C) 8.1 J(B,D) 0.0 J(B,E) 0.0 J(B,F) 0.0 J(C,D) 9.6 J(C,E) 0.0 J(C,F) 0.0 J(D,E) 8.3 J(D,F) 8.8 J(E,F) -14.5 WILSON,N.K. & SOVOCOOL,G.W. ORG.MAGN.RESON. 9, 536 (1977)
CIS-CHLORDANE(5103-71-9) 1H NMR Atlas of Related Products