(2α,4α,6β)-1α,5α-Dimethyl-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile(81844-62-4) ¹H NMR

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

CAS 81844-62-4

Molecular FormulaC9H11NO2

Molecular Weight165.18914

InChIInChI=1S/C9H11NO2/c1-8-3-5(4-10)9(2,12-8)7-6(8)11-7/h5-7H,3H2,1-2H3/t5-,6+,7-,8-,9+/m1/s1

InChIKey VVZYVBODYOBJLO-WUNNTHRKSA-N

SmilesO1[C@]2([H])[C@@]3(C([H])([H])[H])C([H])([H])[C@]([H])(C#N)[C@@](C([H])([H])[H])([C@]12[H])O3

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¹HNMR

    Parameter     ppm  Hz

      D(A)         3.20
     
      D(B)         2.67
      D(C)         1.89
      D(D)         2.13
       J(B,C)          4.8
       J(B,D)          8.7
       J(C,D)        -12.3
     
      D(E)         1.55
     
      D(F)         1.69
     
     MARFISI,C. ET AL. ORG.MAGN.RESON. 17, 239 (1981)

Spectral Code: 1H NMR : parameter in CDCl3

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(2α,4α,6β)-1α,5α-Dimethyl-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile(81844-62-4) 1H NMR

(2α,4α,6β)-1α,5α-Dimethyl-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile(81844-62-4) ¹H NMR