3-Fluoro-5-methyl-6-oxo-2,4-cyclohexadienylidenediacetate(64248-47-1) ¹H NMR

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

CAS 64248-47-1

Molecular FormulaC11H11FO5

Molecular Weight242.2

InChIInChI=1S/C11H11FO5/c1-6-4-9(12)5-11(10(6)15,16-7(2)13)17-8(3)14/h4-5H,1-3H3

InChIKey SABINLTUVODNSH-UHFFFAOYSA-N

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

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¹HNMR

    Parameter     ppm  Hz

      D(A)         6.526
      D(B)         5.525
      D(C)         1.966
       J(A,B)          3.02
       J(A,C)          1.67
       J(A,X)          8.36
       J(B,C)          0.76
       J(B,X)         10.07
       J(C,X)          0.70
     
      D(D)         2.045
     
     BUBB,W.A. ET AL. ORG.MAGN.RESON. 9, 167 (1977)

Spectral Code: 1H NMR : parameter in CCl4

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3-Fluoro-5-methyl-6-oxo-2,4-cyclohexadienylidenediacetate(64248-47-1) 1H NMR

3-Fluoro-5-methyl-6-oxo-2,4-cyclohexadienylidenediacetate(64248-47-1) ¹H NMR