Acetic acid 3-cyano-1-methyl-6-oxo-2,4-cyclohexadienyl ester(64248-41-5) ¹H NMR

Product NameAcetic acid 3-cyano-1-methyl-6-oxo-2,4-cyclohexadienyl ester

CAS 64248-41-5

Molecular FormulaC10H9NO3

Molecular Weight191.18

InChIInChI=1S/C10H9NO3/c1-7(12)14-10(2)5-8(6-11)3-4-9(10)13/h3-5H,1-2H3

InChIKey ZYSDZQLQOFITRH-UHFFFAOYSA-N

SmilesC1(C#N)C=CC(=O)C(OC(C)=O)(C)C=1

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¹HNMR

    Parameter     ppm  Hz

      D(A)         6.223
      D(B)         6.941
      D(C)         6.884
       J(A,B)         10.06
       J(A,C)          0.61
       J(B,C)          2.28
     
      D(D)         2.07
     
      D(E)         1.407
     
     BUBB,W.A. ET AL. ORG.MAGN.RESON. 9, 167 (1977)

Spectral Code: 1H NMR : parameter in CCl4

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Acetic acid 3-cyano-1-methyl-6-oxo-2,4-cyclohexadienyl ester(64248-41-5) 1H NMR

Acetic acid 3-cyano-1-methyl-6-oxo-2,4-cyclohexadienyl ester(64248-41-5) ¹H NMR