2-AMINOPURINE NITRATE SALT(51-16-1) MS

Product Name2-AMINOPURINE NITRATE SALT

CAS 51-16-1

Molecular FormulaC5H6N6O3

Molecular Weight198.14

InChIInChI=1S/C5H5N5.HNO3/c6-5-7-1-3-4(10-5)9-2-8-3;2-1(3)4/h1-2H,(H3,6,7,8,9,10);(H,2,3,4)

InChIKey PGDNOZBGABWZLD-UHFFFAOYSA-N

SmilesC12NC=NC=1N=C(N)N=C2.[N+]([O-])(=O)O

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¹HNMR

IR1

Mass

MS-NW-7108          
2-aminopurine nitrate
C5H5N5 HNO3         (Mass of molecular ion:    135)

   Source Temperature: 190 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       1.1
      18.0       4.1
      27.0       3.0
      28.0      16.7
      29.0       1.6
      30.0       6.4
      34.0       1.0
      38.0       2.7
      39.0       3.0
      40.0       1.7
      42.0       1.7
      43.0       5.5
      46.0      17.7
      48.0       1.3
      50.0       1.1
      52.0       3.9
      53.0       8.8
      54.0      11.1
      55.0       2.2
      56.0       1.2
      58.0       1.3
      65.0       2.7
      66.0      15.1
      67.0       2.2
      67.5       2.1
      68.0       3.0
      80.0       3.4
      81.0      20.9
      82.0       1.3
      84.0       8.1
      92.0       1.9
      93.0       1.0
      94.0       3.1
     107.0       4.6
     108.0      13.3
     109.0       1.4
     134.0      12.3
     135.0     100.0
     136.0       7.4
     150.0       2.0

90 MHz in D2O

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₅ H₅ N₅	0.040 g : 0.5 ml D₂O
2-aminopurine nitrate

    Assign.     Shift(ppm)

      A             8.704
      B             8.496
     
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

    779.69   8.706    874
    763.00   8.520    189
    760.94   8.497   1000

¹H NMR	89.56 MHz
C₅ H₅ N₅	0.020 g : 0.5 ml DMSO-d₆
2-aminopurine nitrate

    Assign.     Shift(ppm)

      A             9.
      B             8.948
      C             8.675

     Hz     ppm     Int.

    831.62   9.286     50
    801.39   8.949   1000
    776.95   8.676    922

KBr disc

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