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Back ChemicalBook Home>CAS DataBase List>81800-82-0More Spectrum> (1β,2α,4α,5β)-6β-Chloro-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile(81800-82-0) 1H NMR

(1β,2α,4α,5β)-6β-Chloro-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile(81800-82-0) 1H NMR

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)
    Spectral Code: 1H NMR : parameter in CDCl3

(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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