3051-09-0

紫脲酸铵(3051-09-0)红外图谱(IR2)

分子式:C8H8N6O6

分子量: 284.19

InChI:InChI=1S/C8H5N5O6.H3N/c14-3-1(4(15)11-7(18)10-3)9-2-5(16)12-8(19)13-6(2)17;/h(H2,10,11,14,15,18)(H3,12,13,16,17,19);1H3

InChIKey: LJYRLGOJYKPILZ-UHFFFAOYSA-N

Smiles:C1(=C(O)NC(=O)NC1=O)/N=C1\C(=O)NC(=O)NC\1=O.N

IR1

IR2

ESR

Mass

MS-NW-4871          
murexide
C8H8N6O6 H2O        (Mass of molecular ion:    284)

   Source Temperature: 260 °C
   Sample Temperature: 260 °C
   Direct, 75 eV

      12.0       2.3
      14.0       1.4
      15.0       3.8
      16.0      22.7
      17.0      28.9
      18.0      16.6
      26.0       5.6
      27.0      17.7
      28.0      27.9
      29.0      20.2
      30.0       2.6
      32.0       1.1
      38.0      10.0
      39.0      13.4
      40.0       8.7
      41.0      14.9
      42.0      59.1
      43.0     100.0
      44.0      73.7
      45.0       2.9
      51.0       1.4
      52.0       4.4
      53.0      18.4
      54.0      34.8
      55.0      21.1
      56.0       2.4
      57.0       2.9
      59.0       1.5
      60.0       1.9
      64.0       6.4
      65.0       3.0
      66.0       6.5
      67.0      17.9
      68.0      10.8
      69.0      15.1
      70.0      30.8
      71.0       3.0
      77.0       1.2
      78.0       1.5
      79.0       1.4
      80.0       1.8
      81.0       2.5
      82.0      17.5
      83.0       3.5
      84.0       1.7
      85.0       6.3
      86.0       9.3
      87.0       2.7
      92.0       2.8
      93.0       3.0
      94.0       2.4
      96.0       2.0
      97.0       3.6
      98.0       5.4
      99.0       1.0
     100.0       2.6
     108.0       1.2
     109.0       3.0
     110.0      24.8
     111.0       3.4
     112.0       1.9
     113.0       7.9
     114.0       5.8
     124.0       1.6
     125.0       4.3
     126.0       2.7
     128.0       9.6
     129.0       8.8
     130.0       1.2
     134.0       2.4
     135.0       3.5
     136.0       1.3
     137.0       1.4
     138.0       2.9
     140.0       3.4
     141.0       6.5
     151.0       2.3
     152.0       1.3
     153.0      13.3
     154.0       5.3
     155.0       3.9
     163.0       1.4
     166.0       1.5
     167.0       1.2
     168.0       6.2
     169.0       2.2
     170.0       1.2
     171.0       1.4
     177.0       2.0
     178.0       2.6
     179.0       3.9
     180.0       1.8
     181.0       2.9
     193.0       1.1
     194.0       7.3
     195.0       2.6
     196.0       1.5
     205.0       1.2
     206.0       1.4
     211.0       2.4
     222.0       1.6
     223.0       1.6
     224.0       1.8
     239.0       2.6
     248.0       4.1
     249.0       1.4
     254.0       5.4
     267.0      13.2
     268.0       1.8

KBr disc