6-Acetoxy-4-tert-butyl-6-methyl-2,4-cyclohexadien-1-one(64248-37-9) ¹H NMR

Product Name6-Acetoxy-4-tert-butyl-6-methyl-2,4-cyclohexadien-1-one

CAS 64248-37-9

Molecular FormulaC13H18O3

Molecular Weight222.28

InChIInChI=1S/C13H18O3/c1-9(14)16-13(5)8-10(12(2,3)4)6-7-11(13)15/h6-8H,1-5H3

InChIKey OTLLHJYLPZKYGU-UHFFFAOYSA-N

SmilesC1(=O)C(OC(C)=O)(C)C=C(C(C)(C)C)C=C1

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¹HNMR

    Parameter     ppm  Hz

      D(A)         6.03
      D(B)         7.03
      D(C)         5.81
       J(A,B)         10.2
       J(A,C)          0.7
       J(B,C)          2.5
     
      D(D)         2.01
     
      D(E)         1.26
     
      D(F)         1.14
     
     BUBB,W.A. ET AL. ORG.MAGN.RESON. 9, 167 (1977)

Spectral Code: 1H NMR : parameter in CCl4

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6-Acetoxy-4-tert-butyl-6-methyl-2,4-cyclohexadien-1-one(64248-37-9) 1H NMR

6-Acetoxy-4-tert-butyl-6-methyl-2,4-cyclohexadien-1-one(64248-37-9) ¹H NMR