121-57-3

Sulfanilic acid(121-57-3) MS

Product NameSulfanilic acid

CAS 121-57-3

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

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Sulfanilic acid(121-57-3) MS
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

Sulfanilic acid(121-57-3) MS

¹H NMR	89.56 MHz
C₆ H₇ N O₃ S	0.040 g : 0.5 ml DMSO-d₆
sulfanilic acid

    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