68375-91-7

(2,2,3,3,4,4,5,5-2H8)Cyclohexane-1-carbonitrile(68375-91-7) ¹H NMR

Product Name(2,2,3,3,4,4,5,5-2H8)Cyclohexane-1-carbonitrile

CAS 68375-91-7

Molecular FormulaC7H3D8N

Molecular Weight117.218234224

InChIInChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2/i1D2,2D2,3D2,4D2

InChIKey VBWIZSYFQSOUFQ-SVYQBANQSA-N

SmilesC1(C#N)CC([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]

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¹HNMR

(2,2,3,3,4,4,5,5-2H8)Cyclohexane-1-carbonitrile(68375-91-7) <sup>1</sup>H NMR

    Parameter     ppm  Hz

      D(A)         2.993
      D(B)         1.950
      D(C)         1.518
       J(A,B)          2.62
       J(A,C)          4.03
       J(B,C)        -13.68
     
     HOEFNER,D. ET AL. ORG.MAGN.RESON. 11, 179 (1978)
     DEUTERIUM DECOUPLED.

Spectral Code: 1H NMR : parameter in CFCl3(AXIAL FORM at -105.9C)

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(2,2,3,3,4,4,5,5-2H8)Cyclohexane-1-carbonitrile(68375-91-7) 1H NMR

(2,2,3,3,4,4,5,5-2H8)Cyclohexane-1-carbonitrile(68375-91-7) ¹H NMR