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Back ChemicalBook Home>CAS DataBase List>138-42-1More Spectrum> 4-NITROBENZENESULFONIC ACID(138-42-1) MS

4-NITROBENZENESULFONIC ACID(138-42-1) MS

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


  • 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





4-NITROBENZENESULFONIC ACID(138-42-1) MS Atlas of Related Products

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