Product Name(2α,4α,6β)-1α,5α-Dimethyl-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile
CAS81844-62-4
Molecular FormulaC9H11NO2
Molecular Weight165.18914
InChIInChI=1S/C9H11NO2/c1-8-3-5(4-10)9(2,12-8)7-6(8)11-7/h5-7H,3H2,1-2H3/t5-,6+,7-,8-,9+/m1/s1
InChIKey VVZYVBODYOBJLO-WUNNTHRKSA-N
SmilesO1[C@]2([H])[C@@]3(C([H])([H])[H])C([H])([H])[C@]([H])(C#N)[C@@](C([H])([H])[H])([C@]12[H])O3
Parameter ppm Hz
D(A) 3.20 D(B) 2.67 D(C) 1.89 D(D) 2.13 J(B,C) 4.8 J(B,D) 8.7 J(C,D) -12.3 D(E) 1.55 D(F) 1.69 MARFISI,C. ET AL. ORG.MAGN.RESON. 17, 239 (1981)
(2α,4α,6β)-1α,5α-Dimethyl-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carbonitrile(81844-62-4) 1H NMR Atlas of Related Products
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