81763-40-8

(1α,2β,4β,5α)-6β-Chloro-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile(81763-40-8) ¹H NMR

Product Name(1α,2β,4β,5α)-6β-Chloro-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile

CAS 81763-40-8

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-GKHCUFPYSA-N

SmilesCl[C@]1(C#N)C([H])([H])[C@]2([H])[C@]3([H])[C@]([H])([C@@]1([H])O2)O3

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¹HNMR

(1α,2β,4β,5α)-6β-Chloro-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile(81763-40-8) <sup>1</sup>H NMR

    Parameter     ppm  Hz

      D(A)         3.46
      D(B)         3.78
       J(A,B)          3.2
     
      D(C)         4.79
     
      D(D)         4.71
      D(E)         2.08
      D(F)         2.84
       J(D,E)          0.0
       J(D,F)          5.1
       J(E,F)        -13.6
     
     MARFISI,C. ET AL. ORG.MAGN.RESON. 17, 239 (1981)

Spectral Code: 1H NMR : parameter in CDCl3

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(1α,2β,4β,5α)-6β-Chloro-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile(81763-40-8) 1H NMR

(1α,2β,4β,5α)-6β-Chloro-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile(81763-40-8) ¹H NMR