Acetic acid 1-methyl-3-nitro-6-oxo-2,4-cyclohexadienyl ester(64248-42-6) ¹H NMR

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

CAS 64248-42-6

Molecular FormulaC9H9NO5

Molecular Weight211.17

InChIInChI=1S/C9H9NO5/c1-6(11)15-9(2)5-7(10(13)14)3-4-8(9)12/h3-5H,1-2H3

InChIKey OYFJOKASBSLMHK-UHFFFAOYSA-N

SmilesC1(=O)C(OC(C)=O)(C)C=C([N+]([O-])=O)C=C1

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¹HNMR

    Parameter     ppm  Hz

      D(A)         6.360
      D(B)         7.741
      D(C)         7.490
       J(A,B)         10.41
       J(A,C)          0.64
       J(B,C)          2.95
     
      D(D)         2.13
     
      D(E)         1.535
     
     BUBB,W.A. ET AL. ORG.MAGN.RESON. 9, 167 (1977)

Spectral Code: 1H NMR : parameter in CCl4

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Acetic acid 1-methyl-3-nitro-6-oxo-2,4-cyclohexadienyl ester(64248-42-6) 1H NMR

Acetic acid 1-methyl-3-nitro-6-oxo-2,4-cyclohexadienyl ester(64248-42-6) ¹H NMR