Acetic acid 3-fluoro-1-methyl-6-oxo-2,4-cyclohexadienyl ester(20180-01-2) ¹H NMR

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

CAS 20180-01-2

Molecular FormulaC9H9FO3

Molecular Weight184.16

InChIInChI=1S/C9H9FO3/c1-6(11)13-9(2)5-7(10)3-4-8(9)12/h3-5H,1-2H3

InChIKey GXUUYKDHSVVTGD-UHFFFAOYSA-N

SmilesC1(=O)C(OC(C)=O)(C)C=C(F)C=C1

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¹HNMR

    Parameter     ppm  Hz

      D(A)         6.212
      D(B)         6.932
      D(C)         5.714
       J(A,B)         10.38
       J(A,C)          0.64
       J(A,X)          5.29
       J(B,C)          3.14
       J(B,X)          7.06
       J(C,X)          9.85
     
      D(D)         2.07
     
      D(E)         1.40
     
     BOTHNER-BY,A.A. & MOSER,E. J.AM.CHEM.SOC. 90, 2347 (1968)
     CHEMICAL SHIFTS OF METHYL AND ACETOXY GROUPS WERE OBTAINED FROM:
     BUBB,W.A. ET AL. ORG.MAGN.RESON. 9, 167 (1977)

Spectral Code: 1H NMR : parameter in CDCl3

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Acetic acid 3-fluoro-1-methyl-6-oxo-2,4-cyclohexadienyl ester(20180-01-2) 1H NMR

Acetic acid 3-fluoro-1-methyl-6-oxo-2,4-cyclohexadienyl ester(20180-01-2) ¹H NMR