Product NameEthenesulfonic acid p-chlorophenyl ester

CAS

Molecular FormulaC8H7ClO3S

Molecular Weight218.65738

InChIInChI=1S/C8H7ClO3S/c1-2-13(10,11)12-8-5-3-7(9)4-6-8/h2-6H,1H2

InChIKey IBSQGRPUEMBWMQ-UHFFFAOYSA-N

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

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¹HNMR

    Parameter     ppm  Hz

      D(A)         6.13
      D(B)         6.30
      D(C)         6.64
       J(A,B)         -0.65
       J(A,C)         10.15
       J(B,C)         16.79
     
      D(D)         7.16
      D(E)         7.32
       J(D,D')         2.5
       J(D,E)          8.8
       J(D,E')         0.4
       J(D',E)         0.4
       J(D',E')        8.8
       J(E,E')         2.5
     
     BRUEGEL,W. HANDBOOK OF NMR SPECTRAL PARAMETERS 40.2.12.8
     & 10.2.5.57.

Spectral Code: 1H NMR : parameter in CDCl3

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