2,5-Dimethyl-6-oxo-2,4-cyclohexadienylidenediacetate(64248-51-7) ¹H NMR

Product Name2,5-Dimethyl-6-oxo-2,4-cyclohexadienylidenediacetate

CAS 64248-51-7

Molecular FormulaC12H14O5

Molecular Weight238.24

InChIInChI=1S/C12H14O5/c1-7-5-6-8(2)12(11(7)15,16-9(3)13)17-10(4)14/h5-6H,1-4H3

InChIKey AXODGYDAHQFRRU-UHFFFAOYSA-N

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

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¹HNMR

    Parameter     ppm  Hz

      D(A)         6.59
      D(B)         6.17
      D(C)         1.94
      D(D)         1.88
       J(A,B)          6.3
       J(A,C)          1.5
       J(A,D)          0.5
       J(B,C)          0.4
       J(B,D)          1.6
       J(C,D)          0.7
     
      D(E)         2.10
     
     BUBB,W.A. ET AL. ORG.MAGN.RESON. 9, 167 (1977)

Spectral Code: 1H NMR : parameter in CCl4

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2,5-Dimethyl-6-oxo-2,4-cyclohexadienylidenediacetate(64248-51-7) 1H NMR

2,5-Dimethyl-6-oxo-2,4-cyclohexadienylidenediacetate(64248-51-7) ¹H NMR