(2α,4α,6α)-1α,5α-Dimethyl-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylic acid methyl ester(81763-42-0) ¹H NMR

Product Name(2α,4α,6α)-1α,5α-Dimethyl-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylic acid methyl ester

CAS 81763-42-0

Molecular FormulaC10H14O4

Molecular Weight198.21576

InChIInChI=1S/C10H14O4/c1-9-4-5(8(11)12-3)10(2,14-9)7-6(9)13-7/h5-7H,4H2,1-3H3/t5-,6-,7+,9+,10-/m0/s1

InChIKey XVRJIBAINFFLHO-ATRYVNFQSA-N

SmilesO1[C@]2([H])[C@@]3(C([H])([H])[H])C([H])([H])[C@@]([H])(C(=O)OC([H])([H])[H])[C@@](C([H])([H])[H])([C@]12[H])O3

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¹HNMR

    Parameter     ppm  Hz

      D(A)         3.20
      D(B)         3.24
       J(A,B)          3.4
     
      D(C)         2.81
      D(D)         1.85
      D(E)         2.01
       J(C,D)         11.3
       J(C,E)          4.2
       J(D,E)        -12.4
     
      D(F)         1.49
     
      D(G)         1.60
     
      D(I)         3.71
     
     MARFISI,C. ET AL. ORG.MAGN.RESON. 17, 239 (1981)

Spectral Code: 1H NMR : parameter in CDCl3

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(2α,4α,6α)-1α,5α-Dimethyl-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylic acid methyl ester(81763-42-0) 1H NMR

(2α,4α,6α)-1α,5α-Dimethyl-3,8-dioxatricyclo[3.2.1.02,4]octane-6-carboxylic acid methyl ester(81763-42-0) ¹H NMR