Product Name4-AMINOPYRAZOLO[3,4-D]PYRIMIDINE
CAS20289-44-5
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
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 |
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Assign. Shift(ppm) |
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 |
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Assign. Shift(ppm) |
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
4-AMINOPYRAZOLO[3,4-D]PYRIMIDINE(20289-44-5) MS Atlas of Related Products