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Back ChemicalBook Home>CAS DataBase List>121-57-3More Spectrum> Sulfanilic acid(121-57-3) IR2

Sulfanilic acid(121-57-3) IR2

Product NameSulfanilic acid

CAS121-57-3

Molecular FormulaC6H7NO3S

Molecular Weight173.19

InChIInChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)

InChIKey HVBSAKJJOYLTQU-UHFFFAOYSA-N

SmilesC1(S(O)(=O)=O)=CC=C(N)C=C1


  • Mass

    MS-NW-8887          
    sulfanilic acid
    C6H7NO3S            (Mass of molecular ion:    173)
    

       Source Temperature: 250 °C
       Sample Temperature: 250 °C
       Direct, 75 eV
    

          18.0       4.6
          27.0       1.5
          28.0       4.4
          38.0       2.8
          39.0      14.1
          40.0       1.7
          41.0       5.5
          42.0       1.6
          44.0       1.1
          48.0       1.0
          50.0       1.5
          51.0       1.8
          52.0       4.4
          53.0       4.8
          54.0       2.0
          62.0       2.1
          63.0       6.8
          64.0       7.2
          65.0      48.0
          66.0       9.6
          80.0      15.7
          81.0       3.1
          90.0       1.0
          91.0       3.9
          92.0      29.6
          93.0      15.1
          94.0       1.0
         108.0      74.2
         109.0       9.4
         140.0       1.4
         156.0       9.0
         173.0     100.0
         174.0       8.5
         175.0       5.4
    

90 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C6 H7 N O3 S 0.040 g : 0.5 ml DMSO-d6
    sulfanilic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.68 B 7.27 C 7.3

         Hz     ppm     Int.
    

        692.50   7.733    640
        690.56   7.711    225
        685.88   7.659    284
        683.88   7.637    928
        681.75   7.613    164
        656.63   7.332    226
        654.50   7.308   1000
        652.50   7.286    302
        647.81   7.234    279
        645.88   7.212    613
    

DMSO-d6



KBr disc



nujol mull



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