96-91-3

Picramic acid (96-91-3) MS

Product NamePicramic acid

CAS 96-91-3

Molecular FormulaC6H5N3O5

Molecular Weight199.12

InChIInChI=1S/C6H5N3O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H,7H2

InChIKey QXYMVUZOGFVPGH-UHFFFAOYSA-N

SmilesC1(O)=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1N

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IR1

IR2

Picramic acid (96-91-3) MS
Mass

MS-NW-1644          
2-amino-4,6-dinitrophenol
C6H5N3O5            (Mass of molecular ion:    199)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       1.1
      18.0       4.9
      27.0       1.1
      28.0       8.2
      29.0       1.0
      30.0       9.8
      37.0       1.5
      38.0       3.2
      39.0       4.7
      40.0       1.9
      41.0       6.5
      42.0       1.2
      44.0       9.6
      49.0       1.3
      50.0       9.1
      51.0      23.5
      52.0      15.6
      53.0       8.9
      54.0       7.2
      55.0       1.0
      61.0       1.2
      62.0       3.3
      63.0       1.4
      64.0       3.4
      65.0       3.4
      66.0       4.1
      67.0       2.9
      68.0       3.9
      69.0       4.7
      75.0       1.0
      76.0       4.8
      77.0       5.5
      78.0      15.6
      79.0       9.4
      80.0       4.3
      81.0       6.8
      90.0       1.1
      94.0       7.2
      95.0       2.0
     105.0       1.8
     106.0      23.0
     107.0      11.0
     108.0       1.9
     122.0       4.8
     123.0       1.5
     124.0       1.7
     151.0       3.5
     152.0       2.3
     153.0      12.6
     154.0       1.1
     182.0       5.1
     183.0       1.3
     199.0     100.0
     200.0       7.7
     201.0       1.3

KBr disc