82-71-3

2,4,6-Trinitroresorcinol(82-71-3) IR2

Product Name2,4,6-Trinitroresorcinol

CAS 82-71-3

Molecular FormulaC6H3N3O8

Molecular Weight245.1

InChIInChI=1S/C6H3N3O8/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h1,10-11H

InChIKey IXHMHWIBCIYOAZ-UHFFFAOYSA-N

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

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IR1

IR2

Raman

2,4,6-Trinitroresorcinol(82-71-3) IR2
Mass

MS-NW-1617          
styphnic acid
C6H3N3O8            (Mass of molecular ion:    245)

   Source Temperature: 200 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      16.0       2.1
      17.0      12.8
      18.0      59.9
      26.0       1.3
      27.0       3.7
      28.0      11.5
      29.0       5.6
      30.0     100.0
      37.0      10.3
      38.0       8.9
      39.0       7.5
      40.0       2.9
      41.0       2.7
      42.0       1.6
      43.0       2.1
      44.0      31.0
      45.0       5.1
      46.0       5.8
      48.0       1.0
      49.0       9.3
      50.0      11.1
      51.0       8.5
      52.0       4.8
      53.0      47.8
      54.0       6.4
      55.0       3.4
      56.0       1.3
      61.0       2.2
      62.0       1.6
      63.0       3.9
      64.0       4.0
      65.0       9.6
      66.0       9.0
      67.0      23.5
      68.0       5.1
      69.0       8.7
      70.0      12.4
      77.0      40.5
      78.0       8.1
      79.0       9.7
      80.0       3.1
      81.0       3.6
      82.0       1.0
      83.0       2.1
      84.0       1.6
      91.0       4.2
      92.0       8.4
      93.0       3.7
      94.0       3.5
      95.0      19.9
      96.0       4.7
      97.0      43.3
      98.0       2.4
     105.0       1.7
     106.0       1.4
     107.0       5.2
     108.0       1.2
     109.0       3.5
     122.0       2.2
     135.0       1.8
     141.0       9.0
     153.0       1.2
     182.0       1.0
     215.0       2.8
     245.0      57.1
     246.0       4.6
     247.0       1.1

KBr disc

nujol mull

4880 A,200 M,powder

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