3-Bromo-5-methyl-6-oxo-2,4-cyclohexadienylidenediacetate(64274-94-8) ¹H NMR

Product Name3-Bromo-5-methyl-6-oxo-2,4-cyclohexadienylidenediacetate

CAS 64274-94-8

Molecular FormulaC11H11BrO5

Molecular Weight303.11

InChIInChI=1S/C11H11BrO5/c1-6-4-9(12)5-11(10(6)15,16-7(2)13)17-8(3)14/h4-5H,1-3H3

InChIKey DXBOSIBJIGVEOX-UHFFFAOYSA-N

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

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¹HNMR

    Parameter     ppm  Hz

      D(A)         6.618
      D(B)         6.266
      D(C)         1.955
       J(A,B)          2.34
       J(A,C)          1.69
       J(B,C)          0.79
     
      D(D)         2.062
     
     BUBB,W.A. ET AL. ORG.MAGN.RESON. 9, 167 (1977)

Spectral Code: 1H NMR : parameter in CCl4

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3-Bromo-5-methyl-6-oxo-2,4-cyclohexadienylidenediacetate(64274-94-8) 1H NMR

3-Bromo-5-methyl-6-oxo-2,4-cyclohexadienylidenediacetate(64274-94-8) ¹H NMR