68375-89-3

1-Bromo(2,2,3,3,4,4,5,5-2H8)cyclohexane(68375-89-3) ¹H NMR

Product Name1-Bromo(2,2,3,3,4,4,5,5-2H8)cyclohexane

CAS 68375-89-3

Molecular FormulaC6H3BrD8

Molecular Weight171.104834224

InChIInChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2/i1D2,2D2,3D2,4D2

InChIKey AQNQQHJNRPDOQV-SVYQBANQSA-N

SmilesC1([2H])([2H])CC(Br)C([2H])([2H])C([2H])([2H])C1([2H])[2H]

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¹HNMR

1-Bromo(2,2,3,3,4,4,5,5-2H8)cyclohexane(68375-89-3) <sup>1</sup>H NMR

    Parameter     ppm  Hz

      D(A)         4.704
      D(B)         2.031
      D(C)         1.755
       J(A,B)          2.99
       J(A,C)          3.10
       J(B,C)        -14.80
     
     HOEFNER,D. ET AL. ORG.MAGN.RESON. 11, 179 (1978)
     DEUTERIUM DECOUPLED.

Spectral Code: 1H NMR : parameter in CFCl3(AXIAL FORM at -120.4C)

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1-Bromo(2,2,3,3,4,4,5,5-2H8)cyclohexane(68375-89-3) 1H NMR

1-Bromo(2,2,3,3,4,4,5,5-2H8)cyclohexane(68375-89-3) ¹H NMR