2-HYDROXYPURINE(2308-57-8) IR2

Product Name2-HYDROXYPURINE

CAS 2308-57-8

Molecular FormulaC5H4N4O

Molecular Weight136.11

InChIInChI=1S/C5H4N4O/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10)

InChIKey CRIZPXKICGBNKG-UHFFFAOYSA-N

SmilesN1C2=C(NC(=O)N=C2)N=C1

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IR1

IR2

Mass

MS-NW-6956          
2-purinol
C5H4N4O             (Mass of molecular ion:    136)

   Source Temperature: 240 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      18.0       2.4
      27.0       5.7
      28.0      31.5
      29.0       3.4
      38.0       5.2
      39.0       5.2
      40.0       3.2
      41.0       2.1
      43.0       1.5
      44.0       1.6
      51.0       1.2
      52.0       5.9
      53.0       9.9
      54.0      15.5
      55.0       3.4
      56.0       1.2
      64.0       1.1
      65.0       3.6
      66.0       4.6
      67.0       4.9
      68.0       2.0
      69.0       3.7
      80.0       3.4
      81.0       7.4
      82.0      26.2
      83.0       1.3
      92.0       1.6
      94.0       5.7
     107.0       5.0
     108.0       4.8
     109.0      42.0
     110.0       2.6
     135.0      26.7
     136.0     100.0
     137.0       7.5

KBr disc

nujol mull

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