Product Name1-Chloro(2,2,3,3,4,4,5,5-2H8)cyclohexane
CAS68375-88-2
Molecular FormulaC6H3ClD8
Molecular Weight126.653834224
InChIInChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2/i1D2,2D2,3D2,4D2
InChIKey UNFUYWDGSFDHCW-SVYQBANQSA-N
SmilesC1([2H])([2H])CC(Cl)C([2H])([2H])C([2H])([2H])C1([2H])[2H]
Parameter ppm Hz
D(A) 4.505 D(B) 1.937 D(C) 1.716 J(A,B) 3.05 J(A,C) 2.97 J(B,C) -14.60 HOEFNER,D. ET AL. ORG.MAGN.RESON. 11, 179 (1978) DEUTERIUM DECOUPLED.
1-Chloro(2,2,3,3,4,4,5,5-2H8)cyclohexane(68375-88-2) 1H NMR Atlas of Related Products
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