Product Name(2R,6R)-2,4,6-Trichloroheptane
Molecular FormulaC7H13Cl3
Molecular Weight203.53712
InChIInChI=1/C7H13Cl3/c1-5(8)3-7(10)4-6(2)9/h5-7H,3-4H2,1-2H3/t5-,6-/s3
InChIKey ZIELQSWVHXTKFD-FJGCHTOXNA-N
SmilesC[C@@H](Cl)CC(Cl)C[C@H](Cl)C |&1:1,7,r|
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Parameter ppm Hz
D(A) 4.44 D(B) 4.34 D(C) *1 2.04 D(D) *1 2.00 D(E) 1.59 J(A,B) 0.0 J(A,C) 10.55 J(A,D) 2.73 J(A,E) 6.4 J(B,C) 2.39 J(B,D) 10.98 J(B,E) 0.0 J(C,D) -14.94 J(C,E) 0.0 J(D,E) 0.0 ABE,Y.ET AL. J.POLYM.SCI.:A-1 4, 1413 (1966)Spectral Code: 1H NMR : parameter in CCl4