550-74-3

Picrolonic acid(550-74-3) IR1

Product NamePicrolonic acid

CAS 550-74-3

Molecular FormulaC10H8N4O5

Molecular Weight264.19

InChIInChI=1S/C10H8N4O5/c1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17/h2-5,9H,1H3

InChIKey OVFUUSPKWADLNJ-UHFFFAOYSA-N

SmilesN1=C(C)C([N+]([O-])=O)C(=O)N1C1=CC=C([N+]([O-])=O)C=C1

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IR1

IR2

Picrolonic acid(550-74-3) IR1
Mass

MS-NW-0637          
3-methyl-4-nitro-1-(p-nitrophenyl)-5-pyrazolone
C10H8N4O5           (Mass of molecular ion:    264)

   Source Temperature: 210 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       1.6
      17.0       4.4
      18.0      19.3
      26.0       3.6
      27.0       5.2
      28.0       8.4
      30.0     100.0
      37.0       5.0
      38.0       8.2
      39.0      26.3
      40.0       4.2
      41.0       5.5
      42.0       4.0
      43.0       7.8
      44.0       3.5
      46.0       2.4
      50.0      13.0
      51.0       8.0
      52.0       7.8
      53.0       2.4
      54.0       1.3
      55.0       1.2
      61.0       2.7
      62.0      10.4
      63.0      41.6
      64.0      17.0
      65.0       1.5
      67.0       6.6
      74.0       3.8
      75.0       7.8
      76.0       7.6
      77.0       2.2
      78.0       6.1
      79.0       1.8
      80.0      11.9
      83.0       5.2
      88.0       2.5
      89.0      15.3
      90.0      68.4
      91.0       5.6
      92.0       2.4
     102.0       1.3
     105.0       1.5
     106.0       6.1
     118.0       2.8
     120.0       1.6
     122.0       6.2
     131.0       5.1
     134.0       5.4
     136.0      61.6
     137.0       4.7
     147.0       1.6
     150.0       2.4
     161.0       1.8
     164.0       2.1
     177.0      86.7
     178.0       8.7
     203.0       1.2
     204.0       2.3
     232.0       9.0
     233.0      31.6
     234.0       4.0
     248.0       7.3
     264.0       3.5

KBr disc