Product Name(1β,2α,4α,5β)-6β-Chloro-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile
CAS81800-82-0
Molecular FormulaC7H6ClNO2
Molecular Weight171.58104
InChIInChI=1S/C7H6ClNO2/c8-7(2-9)1-3-4-5(11-4)6(7)10-3/h3-6H,1H2/t3-,4-,5-,6-,7-/m1/s1
InChIKey XREIRCVVQZPXHJ-NYMZXIIRSA-N
SmilesCl[C@@]1(C#N)C([H])([H])[C@]2([H])[C@]3([H])[C@]([H])([C@@]1([H])O2)O3
Parameter ppm Hz
D(A) 3.50 D(B) 3.73 J(A,B) 3.4 D(C) 4.75 D(D) 4.71 D(E) 2.53 D(F) 2.55 J(D,E) 0.0 J(D,F) 2.8 J(E,F) -13.6 MARFISI,C. ET AL. ORG.MAGN.RESON. 17, 239 (1981)
(1β,2α,4α,5β)-6β-Chloro-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile(81800-82-0) 1H NMR Atlas of Related Products
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