Product Name1-[(2H3)Methoxy](2,2,3,3,4,4,5,5-2H8)cyclohexane
CAS68375-90-6
Molecular FormulaC7H3D11O
Molecular Weight125.253239558
InChIInChI=1S/C7H14O/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2
InChIKey GHDIHPNJQVDFBL-GILSBCIXSA-N
SmilesC1([2H])([2H])CC(OC([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
Parameter ppm Hz
D(A) 3.407 D(B) 1.866 D(C) 1.237 J(A,B) 3.21 J(A,C) 2.39 J(B,C) -14.06 HOEFNER,D. ET AL. ORG.MAGN.RESON. 11, 179 (1978) DEUTERIUM DECOUPLED.
1-[(2H3)Methoxy](2,2,3,3,4,4,5,5-2H8)cyclohexane(68375-90-6) 1H NMR Atlas of Related Products
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