PICRIC ACID(88-89-1) IR2

Product NamePICRIC ACID

CAS 88-89-1

Molecular FormulaC6H3N3O7

Molecular Weight229.1

InChIInChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H

InChIKey OXNIZHLAWKMVMX-UHFFFAOYSA-N

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

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IR1

IR2

Mass

MS-IW-2594          
2,4,6-trinitrophenol
C6H3N3O7            (Mass of molecular ion:    229)

   Source Temperature: 130 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      28.0       2.2
      30.0      25.2
      37.0       2.3
      38.0       1.7
      39.0       2.1
      44.0       3.1
      45.0       1.5
      46.0       2.3
      49.0       1.2
      50.0       8.5
      51.0       4.7
      52.0       1.7
      53.0      11.2
      54.0       1.1
      61.0       8.2
      62.0      24.9
      63.0       8.7
      64.0       3.0
      66.0       3.1
      67.0       1.5
      68.0       1.0
      69.0       2.8
      75.0       1.7
      76.0       2.2
      77.0       5.1
      78.0       4.5
      79.0       2.3
      80.0       6.6
      89.0       1.0
      90.0       4.3
      91.0      22.0
      92.0       5.1
     105.0       2.9
     106.0       1.1
     120.0       1.8
     136.0       3.1
     137.0       2.0
     152.0       1.9
     166.0       1.1
     171.0       1.6
     199.0       6.4
     213.0       1.6
     229.0     100.0
     230.0       8.1
     231.0       1.7

KBr disc

nujol mull

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