3-Amino-4-hydroxybenzenesulphonamide(98-32-8) IR2

Product Name3-Amino-4-hydroxybenzenesulphonamide

CAS 98-32-8

Molecular FormulaC6H8N2O3S

Molecular Weight188.2

InChIInChI=1S/C6H8N2O3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,7H2,(H2,8,10,11)

InChIKey AVQFHKYAVVQYQO-UHFFFAOYSA-N

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

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Mass

MS-IW-9147          
3-amino-4-hydroxybenzenesulfonamide
C6H8N2O3S           (Mass of molecular ion:    188)

   Source Temperature: 180 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      16.0       1.4
      17.0       3.2
      18.0      10.0
      26.0       1.9
      27.0       7.2
      28.0      13.8
      29.0       1.6
      30.0       1.0
      37.0       1.1
      38.0       2.6
      39.0       6.9
      40.0       1.8
      41.0       4.4
      42.0       2.0
      44.0       2.2
      48.0       2.9
      49.0       1.0
      50.0       5.7
      51.0      12.1
      52.0      15.0
      53.0      27.5
      53.5       1.5
      54.0       6.9
      55.0       1.9
      62.0       3.5
      63.0       7.6
      64.0       8.1
      65.0       2.3
      66.0       1.2
      67.0       1.3
      68.0       2.3
      69.0       1.5
      70.0       1.0
      76.0       2.3
      77.0       2.1
      78.0       6.2
      79.0      10.0
      80.0      42.8
      81.0       3.9
      90.0       3.3
      91.0       2.0
      95.0       3.9
      96.0       8.7
      97.0       1.3
     106.0       1.2
     107.0      12.2
     108.0      71.7
     109.0       6.5
     123.0       5.7
     124.0      18.8
     125.0       9.3
     156.0       1.6
     172.0       7.4
     188.0     100.0
     189.0       8.6
     190.0       5.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₈ N₂ O₃ S	0.041 g : 0.5 ml DMSO-d₆
3-amino-4-hydroxybenzenesulfonamide

    Assign.     Shift(ppm)

      A             9.88
      B             7.059
      C     *1      6.96
      D             6.898
      E             6.728
      F     *1      4.92

     Hz     ppm     Int.

   2822.27   7.062    711
   2819.98   7.057    737
   2782.59   6.963   1000
   2762.60   6.913    333
   2760.31   6.907    306
   2754.36   6.892    399
   2752.08   6.887    380
   2692.87   6.739    719
   2689.21   6.729     30
   2684.63   6.718    584
   1967.32   4.923     70

in DMSO-d6