Acetic acid 1,3-dimethyl-6-oxo-2,4-cyclohexadienyl ester(7277-36-3) ¹H NMR

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

CAS 7277-36-3

Molecular Formula

Molecular Weight

InChIInChI=1S/C10H12O3/c1-7-4-5-9(12)10(3,6-7)13-8(2)11/h4-6H,1-3H3

InChIKey PPWCHXGMDZVEST-UHFFFAOYSA-N

SmilesC(OC1(C)C(=O)C=CC(C)=C1)(=O)C

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¹HNMR

    Parameter     ppm  Hz

      D(A)         6.00
      D(B)         6.73
      D(C)         5.80
      D(D)         1.95
       J(A,B)          9.8
       J(A,C)          0.8
       J(A,D)          0.5
       J(B,C)          2.4
       J(B,D)          0.3
       J(C,D)          1.5
     
      D(E)         2.00
     
      D(F)         1.27
     
     BUBB,W.A. ET AL. ORG.MAGN.RESON. 9, 167 (1977)

Spectral Code: 1H NMR : parameter in CCl4

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Acetic acid 1,3-dimethyl-6-oxo-2,4-cyclohexadienyl ester(7277-36-3) 1H NMR

Acetic acid 1,3-dimethyl-6-oxo-2,4-cyclohexadienyl ester(7277-36-3) ¹H NMR