138-42-1

4-NITROBENZENESULFONIC ACID(138-42-1) ¹³C NMR

Product Name4-NITROBENZENESULFONIC ACID

CAS 138-42-1

Molecular FormulaC6H5NO5S

Molecular Weight203.17

InChIInChI=1S/C6H5NO5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,10,11,12)

InChIKey SPXOTSHWBDUUMT-UHFFFAOYSA-N

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

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4-NITROBENZENESULFONIC ACID(138-42-1) <sup>13</sup>C NMR
Mass

MS-NW-2264          
p-nitrobenzenesulfonic acid
C6H5NO5S            (Mass of molecular ion:    203)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.2
      18.0       6.2
      27.0       3.0
      28.0       2.4
      30.0      58.5
      37.0       3.3
      38.0       7.3
      39.0      22.7
      45.0       5.6
      46.0       1.5
      48.0       1.7
      49.0       1.5
      50.0      53.7
      51.0       9.7
      52.0       3.9
      53.0       9.4
      55.0       4.1
      61.0       2.3
      62.0       4.8
      63.0      17.3
      64.0      22.2
      65.0      39.8
      66.0       2.5
      67.0       1.3
      69.0       2.3
      70.0       1.1
      73.0       3.6
      74.0      22.1
      75.0      58.9
      76.0      35.7
      77.0       4.0
      79.0       1.5
      80.0       1.6
      81.0      35.8
      82.0       2.1
      83.0       1.3
      87.0       1.2
      92.0      22.9
      93.0       5.4
      95.0       1.0
     107.0       3.3
     108.0       1.8
     109.0      71.7
     110.0       4.9
     111.0       1.3
     122.0       4.2
     139.0       1.6
     157.0      62.3
     158.0       4.7
     159.0       3.2
     173.0       2.0
     186.0       1.5
     187.0       2.5
     203.0     100.0
     204.0       8.1
     205.0       5.7

in D2O

KBr disc

nujol mull

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4-NITROBENZENESULFONIC ACID(138-42-1) 13C NMR

4-NITROBENZENESULFONIC ACID(138-42-1) ¹³C NMR