7218-19-1

Diacetic acid 3,5-dimethyl-6-oxo-2,4-cyclohexadien-1-ylidene ester(7218-19-1) ¹H NMR

Product NameDiacetic acid 3,5-dimethyl-6-oxo-2,4-cyclohexadien-1-ylidene ester

CAS 7218-19-1

Molecular Formula

Molecular Weight

InChIInChI=1S/C12H14O5/c1-7-3-8(2)11(17)12(4-7,5-9(13)14)6-10(15)16/h3-4H,5-6H2,1-2H3,(H,13,14)(H,15,16)

InChIKey BTVKUHWMPJMJSV-UHFFFAOYSA-N

SmilesC1(CC(O)=O)(CC(O)=O)C(=O)C(C)=CC(C)=C1

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¹HNMR

Diacetic acid 3,5-dimethyl-6-oxo-2,4-cyclohexadien-1-ylidene ester(7218-19-1) <sup>1</sup>H NMR

    Parameter     ppm  Hz

      D(A)         6.39
      D(B)         5.73
      D(C)         1.94
      D(D)         1.91
       J(A,B)          2.2
       J(A,C)          0.0
       J(A,D)          1.5
       J(B,C)          1.6
       J(B,D)          0.0
       J(C,D)          0.0
     
      D(E)         2.02
     
     BUBB,W.A. ET AL. ORG.MAGN.RESON. 9, 167 (1977)

Spectral Code: 1H NMR : parameter in CCl4

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Diacetic acid 3,5-dimethyl-6-oxo-2,4-cyclohexadien-1-ylidene ester(7218-19-1) 1H NMR

Diacetic acid 3,5-dimethyl-6-oxo-2,4-cyclohexadien-1-ylidene ester(7218-19-1) ¹H NMR