2,4,6-trinitrobenzene-1,3,5-triamine (3058-38-6) IR2

Product Name2,4,6-trinitrobenzene-1,3,5-triamine

CAS 3058-38-6

Molecular FormulaC6H6N6O6

Molecular Weight258.15

InChIInChI=1S/C6H6N6O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16/h7-9H2

InChIKey JDFUJAMTCCQARF-UHFFFAOYSA-N

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

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IR1

IR2

Mass

MS-IW-3309          
2,4,6-trinitro-1,3,5-benzenetriamine
C6H6N6O6            (Mass of molecular ion:    258)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      28.0       6.0
      30.0       2.4
      39.0       1.3
      40.0       2.8
      41.0       1.6
      42.0       2.0
      43.0       2.1
      44.0       3.3
      51.0       1.2
      52.0       6.7
      53.0       4.0
      54.0       3.5
      55.0       1.2
      63.0       1.1
      64.0       3.2
      65.0       3.2
      66.0       5.2
      67.0      11.3
      68.0       4.4
      69.0       2.9
      70.0       1.5
      76.0       1.9
      77.0       3.6
      78.0       2.3
      79.0       4.5
      80.0       3.9
      81.0       1.1
      90.0       2.2
      91.0       8.3
      92.0       7.6
      93.0       4.8
      94.0       1.8
      95.0       2.1
     103.0       1.1
     104.0       5.5
     105.0       1.5
     106.0       1.2
     107.0       2.0
     108.0       2.8
     118.0       2.8
     119.0       8.4
     120.0       5.1
     121.0       1.4
     122.0       1.9
     131.0       2.4
     132.0       2.4
     134.0       1.5
     135.0       1.0
     136.0       1.2
     137.0       1.7
     147.0       3.2
     148.0       1.2
     149.0       1.4
     154.0       1.0
     164.0       1.6
     165.0       5.2
     166.0       1.7
     182.0       3.9
     224.0       5.0
     225.0       2.9
     228.0      16.9
     229.0       1.5
     241.0       1.8
     242.0       3.3
     258.0     100.0
     259.0       8.9
     260.0       1.6

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