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Back ChemicalBook Home>CAS DataBase List>20289-44-5More Spectrum> 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINE(20289-44-5) MS

20289-44-5

4-AMINOPYRAZOLO[3,4-D]PYRIMIDINE(20289-44-5) MS

Molecular FormulaC5H5N5

Molecular Weight135.13

InChIInChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2,4H,6H2

InChIKey VAOHIJMLMILFFA-UHFFFAOYSA-N

SmilesC1=NC(N)C2=CN=NC2=N1

  • 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINE(20289-44-5) MS
    Mass

    MS-NW-7829          
    4-aminopyrazolo(3,4-d)pyrimidine
    C5H5N5              (Mass of molecular ion:    135)
    

       Source Temperature: 200 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          18.0       1.1
          27.0       1.5
          28.0      13.0
          29.0       4.9
          37.0       1.2
          38.0       2.9
          39.0       2.4
          40.0       2.2
          42.0       1.4
          43.0       6.3
          51.0       2.8
          52.0      12.4
          53.0       8.1
          54.0       4.4
          64.0       3.9
          65.0       2.3
          66.0       5.7
          67.0       2.7
          68.0       1.0
          77.0       2.4
          78.0       1.3
          79.0       2.8
          80.0       1.4
         107.0       1.8
         108.0      27.9
         109.0       2.0
         119.0       2.7
         134.0       5.9
         135.0     100.0
         136.0       8.1
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6

  • 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINE(20289-44-5) MS

    1H NMR 399.65 MHz
    C5 H5 N5 saturated in DMSO-d6
    4-aminopyrazolo(3,4-d)pyrimidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.5 B 8.212 C 8.150 D 7.7

         Hz     ppm     Int.
    

       3281.98   8.213   1000
       3257.25   8.151    981
       3074.45   7.693     53
    

  • 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINE(20289-44-5) MS

    1H NMR 89.56 MHz
    C5 H5 N5 0.042 g : 0.5 ml DMSO-d6
    4-aminopyrazolo(3,4-d)pyrimidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B *1 8.193 C *1 8.132 D 7.66

         Hz     ppm     Int.
    

        741.60   8.281     23
        739.36   8.256     35
        733.89   8.195    937
        728.42   8.134   1000
        686.13   7.662    160
    

in DMSO-d6

  • 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINE(20289-44-5) MS

KBr disc

  • 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINE(20289-44-5) MS

nujol mull

  • 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINE(20289-44-5) MS

4-AMINOPYRAZOLO[3,4-D]PYRIMIDINE(20289-44-5) MS Atlas of Related Products

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