(1α,3α,6α)-1,6-Dimethyl(2,2,5,5-2H4)bicyclo[4.1.0]heptane-3-carboxylic acid methyl ester(65414-38-2) ¹H NMR

Product Name(1α,3α,6α)-1,6-Dimethyl(2,2,5,5-2H4)bicyclo[4.1.0]heptane-3-carboxylic acid methyl ester

CAS 65414-38-2

Molecular FormulaC11H14D4O2

Molecular Weight186.284067112

InChIInChI=1/C11H18O2/c1-10-5-4-8(9(12)13-3)6-11(10,2)7-10/h8H,4-7H2,1-3H3/t8-,10-,11+/s3/i5D2,6D2

InChIKey VXILWFHHGUJSBS-AWFJCURHNA-N

Smiles[C@]12(C)[C@](C)(C1)C([2H])([2H])[C@H](C(OC)=O)CC2([2H])[2H] |&1:0,2,8,r|

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¹HNMR

    Parameter     ppm  Hz

      D(A)         1.99
      D(B)         1.40
      D(C)         1.28
       J(A,B)          2.7
       J(A,C)         11.3
       J(B,C)        -13.8
     
      D(D)        -0.09
      D(E)         0.10
       J(D,E)         -4.8
     
      D(F)         1.00
     
      D(G)         0.96
     
      D(J)         3.51
     
     PIZZALA,L. ET AL. ORG.MAGN.RESON. 9, 260 (1977)
     THE ASSIGNMENTS FOR H(F) AND H(G) MAY BE REVERSED.

Spectral Code: 1H NMR : parameter in CS2

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(1α,3α,6α)-1,6-Dimethyl(2,2,5,5-2H4)bicyclo[4.1.0]heptane-3-carboxylic acid methyl ester(65414-38-2) 1H NMR

(1α,3α,6α)-1,6-Dimethyl(2,2,5,5-2H4)bicyclo[4.1.0]heptane-3-carboxylic acid methyl ester(65414-38-2) ¹H NMR