3965-55-7

Sodium dimethyl 5-sulphonatoisophthalate(3965-55-7) IR1

Product NameSodium dimethyl 5-sulphonatoisophthalate

CAS 3965-55-7

Molecular FormulaC10H11NaO7S

Molecular Weight298.24

InChIInChI=1S/C10H10O7S.Na.H/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;;/h3-5H,1-2H3,(H,13,14,15);;

InChIKey NKSXFLJIAWNZSP-UHFFFAOYSA-N

SmilesS(C1C=C(C(=O)OC)C=C(C(=O)OC)C=1)(O)(=O)=O.[NaH]

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Sodium dimethyl 5-sulphonatoisophthalate(3965-55-7) IR1

    Assign.     Shift(ppm)

      A             8.45
      B             8.44
      C             3.930

Spectral Code: 1H NMR : 400 MHz in DMSO-d6

Sodium dimethyl 5-sulphonatoisophthalate(3965-55-7) IR1

       ppm   Int.  Assign.

      165.06   547      1
      149.39   351      2
      130.34   907      3 *
      130.03   805      4 *
      129.52   435      5
       52.50  1000      6

Spectral Code: 13C NMR : in DMSO-d6

Spectral Code: IR : nujol mull

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