52291-13-1

1-Methyl(2,2,3,3,4,4-2H6)cyclopentane(52291-13-1) ¹H NMR

Product Name1-Methyl(2,2,3,3,4,4-2H6)cyclopentane

CAS 52291-13-1

Molecular FormulaC6H6D6

Molecular Weight90.196450668

InChIInChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3/i2D2,3D2,4D2

InChIKey GDOPTJXRTPNYNR-PWDWWLAZSA-N

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

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¹HNMR

1-Methyl(2,2,3,3,4,4-2H6)cyclopentane(52291-13-1) <sup>1</sup>H NMR

    Parameter     ppm  Hz

      D(A)         1.826
      D(B)         1.693
      D(C)         1.025
      D(D)         0.957
       J(A,B)          7.25
       J(A,C)          8.29
       J(A,D)          6.65
       J(B,C)        -12.45
       J(B,D)         -0.17
       J(C,D)         -0.12
     
     LIPNICK,R.L. J.AM.CHEM.SOC. 96, 2941 (1974)

Spectral Code: 1H NMR : parameter in CDCl3

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1-Methyl(2,2,3,3,4,4-2H6)cyclopentane(52291-13-1) 1H NMR

1-Methyl(2,2,3,3,4,4-2H6)cyclopentane(52291-13-1) ¹H NMR