2-NITROBENZENESULFONIC ACID(80-82-0) IR2

Product Name2-NITROBENZENESULFONIC ACID

CAS 80-82-0

Molecular FormulaC6H5NO5S

Molecular Weight203.17

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

InChIKey HWTDMFJYBAURQR-UHFFFAOYSA-N

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

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IR1

IR2

Mass

MS-NW-1189          
o-nitrobenzenesulfonic acid
C6H5NO5S (H2O)      (Mass of molecular ion:    203)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       7.1
      18.0      32.0
      26.0       1.5
      27.0       4.9
      28.0       6.1
      29.0       1.1
      30.0      69.6
      37.0       4.6
      38.0      12.1
      39.0      44.0
      40.0       2.0
      41.0       1.1
      44.0       1.1
      45.0       2.0
      46.0       3.2
      48.0       3.1
      49.0       2.3
      50.0      64.0
      51.0      18.3
      52.0      11.2
      53.0       8.8
      55.0       1.8
      61.0       2.2
      62.0       5.3
      63.0      35.9
      64.0      49.2
      65.0     100.0
      66.0       7.0
      67.0       1.2
      69.0       3.2
      70.0       2.1
      73.0       3.2
      74.0      22.3
      75.0      19.7
      76.0      29.6
      77.0      25.0
      78.0       7.9
      79.0       1.5
      80.0       4.1
      81.0      31.6
      82.0       2.1
      91.0       6.6
      92.0      62.8
      93.0      44.4
      94.0       6.7
      95.0       1.8
     106.0       2.3
     109.0      68.8
     110.0       4.9
     122.0      12.4
     123.0      21.6
     124.0       1.6
     139.0      20.2
     140.0       1.7
     155.0       2.6
     173.0       3.6
     187.0       1.2
     203.0      42.7
     204.0       3.4
     205.0       2.4

KBr disc

nujol mull

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