Glycoluril(496-46-8) IR1

Product NameGlycoluril

CAS 496-46-8

Molecular FormulaC4H6N4O2

Molecular Weight142.12

InChIInChI=1S/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)

InChIKey VPVSTMAPERLKKM-UHFFFAOYSA-N

SmilesC1(=O)NC2NC(=O)NC2N1

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Mass

MS-NW-8118          
tetrahydroimidazo(4,5-d)imidazole-2,5(1H,3H)-dione
C4H6N4O2            (Mass of molecular ion:    142)

   Source Temperature: 200 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      15.0       1.3
      16.0       5.1
      17.0      15.4
      18.0       3.7
      27.0       3.9
      28.0      73.3
      29.0      43.2
      30.0       3.0
      40.0       1.1
      41.0       2.5
      42.0      10.0
      43.0      38.2
      44.0      61.1
      45.0       5.3
      54.0       1.4
      55.0       5.9
      56.0       7.5
      57.0       1.6
      60.0       8.2
      69.0       2.6
      70.0       2.8
      71.0      67.1
      72.0      12.2
      83.0       1.0
      84.0       2.3
      86.0      11.8
      87.0       2.7
      98.0       5.3
      99.0      29.9
     100.0       3.5
     113.0       1.2
     114.0      68.1
     115.0       3.4
     129.0       3.4
     142.0     100.0
     143.0       6.9