2-Amino-6-nitro-1-phenol-4-sulfonic acid (96-93-5) IR1

Product Name2-Amino-6-nitro-1-phenol-4-sulfonic acid

CAS 96-93-5

Molecular FormulaC6H6N2O6S

Molecular Weight234.19

InChIInChI=1S/C6H6N2O6S/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11/h1-2,9H,7H2,(H,12,13,14)

InChIKey RHPXYZMDLOJTFF-UHFFFAOYSA-N

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

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IR1

IR2

Mass

MS2002-01331WA      
3-amino-4-hydroxy-5-nitrobenzenesulfonic acid
C6H6N2O6S           (Mass of molecular ion:    234)

   Source Temperature: 255 °C
   Sample Temperature: 410 °C
   Direct, 70 eV

      16.0       1.5
      17.0       3.9
      18.0      13.0
      27.0       1.4
      28.0       6.5
      29.0       1.2
      30.0       5.1
      32.0       3.2
      38.0       1.3
      39.0       3.3
      41.0       2.3
      42.0       1.2
      43.0       1.1
      44.0      12.4
      48.0      21.8
      50.0       6.0
      51.0      12.9
      52.0       8.1
      53.0       3.7
      54.0       3.6
      55.0       1.2
      60.0       1.1
      62.0       2.4
      63.0       1.5
      64.0      45.2
      65.0       3.8
      66.0       2.6
      67.0       6.6
      68.0       2.6
      69.0       1.2
      75.0       1.1
      76.0       5.5
      77.0       5.2
      78.0      13.0
      79.0      11.8
      80.0       7.2
      82.0       1.0
      90.0       1.4
      91.0      10.1
      92.0       1.3
      94.0       2.8
      95.0       3.1
      96.0       2.3
     106.0      10.3
     107.0       7.7
     108.0       2.3
     112.0       1.5
     122.0       1.7
     123.0       1.1
     124.0       2.3
     136.0       2.2
     144.0       4.3
     153.0       9.5
     154.0       2.3
     159.0       4.9
     172.0       4.1
     186.0       3.8
     187.0       4.7
     188.0       9.7
     189.0       2.0
     217.0      15.7
     218.0       2.3
     219.0       1.1
     234.0     100.0
     235.0       8.4
     236.0       6.0

KBr disk