20289-44-5

4-氨基吡唑嘧啶(20289-44-5)质谱(MS)

产品名称:4-氨基吡唑嘧啶

CAS:20289-44-5

分子式:C5H5N5

分子量: 135.13

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

InChIKey: VAOHIJMLMILFFA-UHFFFAOYSA-N

Smiles:C1=NC(N)C2=CN=NC2=N1

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

¹H NMR	399.65 MHz
C₅ H₅ N₅	saturated in DMSO-d₆
4-aminopyrazolo(3,4-d)pyrimidine

    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

¹H NMR	89.56 MHz
C₅ H₅ N₅	0.042 g : 0.5 ml DMSO-d₆
4-aminopyrazolo(3,4-d)pyrimidine

    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

KBr disc

nujol mull