6325-93-5

4-Nitrobenzenesulfonamide(6325-93-5) IR1

Product Name4-Nitrobenzenesulfonamide

CAS 6325-93-5

Molecular FormulaC6H6N2O4S

Molecular Weight202.19

InChIInChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)

InChIKey QWKKYJLAUWFPDB-UHFFFAOYSA-N

SmilesC1(S(N)(=O)=O)=CC=C([N+]([O-])=O)C=C1

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4-Nitrobenzenesulfonamide(6325-93-5) IR1
Mass

MS-NW-7151          
p-nitrobenzenesulfonamide
C6H6N2O4S           (Mass of molecular ion:    202)

   Source Temperature: 220 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      16.0       1.1
      18.0       2.5
      27.0       1.7
      28.0       3.3
      30.0      17.0
      32.0       1.0
      37.0       2.8
      38.0       7.1
      39.0      12.7
      41.0       1.2
      45.0       2.5
      46.0       2.7
      48.0       3.7
      49.0       1.5
      50.0      60.7
      51.0      11.7
      52.0       4.4
      53.0       4.0
      54.0       1.2
      58.0       1.0
      61.0       2.1
      62.0       5.1
      63.0      17.0
      64.0      30.7
      65.0      20.7
      66.0       3.7
      69.0       3.7
      70.0       2.5
      73.0       3.3
      74.0      23.7
      75.0     100.0
      76.0      53.1
      77.0       6.7
      79.0       1.8
      80.0       5.8
      81.0       4.6
      82.0       1.6
      90.0       3.3
      91.0       3.0
      92.0      33.4
      93.0       4.9
      95.0       1.9
      96.0       1.6
     106.0       1.6
     107.0       2.1
     108.0      15.1
     109.0      13.1
     110.0       1.4
     121.0       3.8
     122.0      54.3
     123.0       5.2
     124.0       1.3
     138.0      62.0
     139.0      40.1
     140.0       3.8
     156.0      15.9
     157.0       1.4
     186.0      35.3
     187.0       3.2
     188.0       2.0
     202.0      87.3
     203.0       7.4
     204.0       5.2
     308.0       2.2

400 MHz in DMSO-d6

4-Nitrobenzenesulfonamide(6325-93-5) IR1

¹H NMR	399.65 MHz
C₆ H₆ N₂ O₄ S	0.041 g : 0.5 ml DMSO-d₆
p-nitrobenzenesulfonamide

    Assign.     Shift(ppm)

      A             8.434
      B             8.098
      C             7.77

     Hz     ppm     Int.

   3375.40   8.446    865
   3373.41   8.441    325
   3368.53   8.429    314
   3366.39   8.424   1000
   3363.95   8.418    152
   3242.95   8.115    143
   3240.51   8.109    994
   3238.53   8.104    342
   3233.64   8.092    297
   3231.66   8.087    883
   3105.16   7.770    875

KBr disc