Product Name4,6,6-Triacetoxy-2-tert-butyl-2,4-cyclohexadienone

CAS

Molecular FormulaC16H20O7

Molecular Weight324.3258

InChIInChI=1S/C16H20O7/c1-9(17)21-12-7-13(15(4,5)6)14(20)16(8-12,22-10(2)18)23-11(3)19/h7-8H,1-6H3

InChIKey GPAHFUJBRFXKAG-UHFFFAOYSA-N

SmilesC1(=O)C(OC(C)=O)(OC(C)=O)C=C(OC(C)=O)C=C1C(C)(C)C

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¹HNMR

    Parameter     ppm  Hz

      D(A)         6.45
      D(B)         6.06
       J(A,B)          2.7
     
      D(C)         2.19
     
      D(D)         2.08
     
      D(E)         1.23
     
     BUBB,W.A. ET AL. ORG.MAGN.RESON. 9, 167 (1977)

Spectral Code: 1H NMR : parameter in CCl4

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