EPSILON-HCH(6108-10-7) 1H NMR
Product NameEPSILON-HCH
CAS6108-10-7
Molecular FormulaC6H6Cl6
Molecular Weight290.83
InChIInChI=1/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5-,6-
InChIKey JLYXXMFPNIAWKQ-DCLYFUHFNA-N
Smiles[C@@H]1(Cl)[C@H](Cl)[C@@H]([C@@H](Cl)[C@@H](Cl)[C@H]1Cl)Cl |&1:0,2,4,5,7,9,r|
parameter in acetone-d6
-
1H NMR 300 MHz C6 H6 Cl6 4 mol% in acetone-d6 epsilon-1,2,3,4,5,6-hexachlorohexane 
Parameter ppm Hz
D(A) 5.024 D(B) 4.898 D(C) 4.898 D(D) 5.024 D(E) 4.898 D(F) 4.898 J(A,B) 3.01 J(A,C) -0.45 J(A,D) 0.43 J(A,E) -0.45 J(A,F) 3.01 J(B,C) 11.27 J(B,D) -0.45 J(B,E) -0.07 J(B,F) 0.14 J(C,D) 3.01 J(C,E) 0.14 J(C,F) -0.07 J(D,E) 3.01 J(D,F) -0.45 J(E,F) 11.27 HAYAMIZU,K. ET AL. TETRAHEDRON 27, 779 (1972)
Hz ppm Int.1509.84 5.033 112 1508.28 5.028 280 1507.33 5.024 428 1506.32 5.021 308 1504.80 5.016 141 1496.15 4.987 12 1495.09 4.984 11 1481.19 4.937 19 1480.45 4.935 20 1470.61 4.902 830 1469.54 4.898 1000 1468.08 4.894 729