Product Name(1α,3β,6α)-1,6-Dimethyl(2,2,5,5-2H4)bicyclo[4.1.0]heptane-3-carboxylic acid methyl ester
CAS65414-37-1
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-RXZGECSRNA-N
Smiles[C@]12(C)[C@](C)(C1)C([2H])([2H])[C@@H](C(OC)=O)CC2([2H])[2H] |&1:0,2,8,r|
Parameter ppm Hz
D(A) 2.02 D(B) 1.54 D(C) 0.96 J(A,B) 2.9 J(A,C) 12.9 J(B,C) -14.1 D(D) 0.12 D(E) -0.1 J(D,E) -4.8 D(F) 3.47 D(G) 0.95 PIZZALA,L. ET AL. ORG.MAGN.RESON. 9, 260 (1977)
(1α,3β,6α)-1,6-Dimethyl(2,2,5,5-2H4)bicyclo[4.1.0]heptane-3-carboxylic acid methyl ester(65414-37-1) 1H NMR Atlas of Related Products
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