Allopurinol(315-30-0) IR2
Product NameAllopurinol
CAS315-30-0
Molecular FormulaC5H4N4O
Molecular Weight136.11
InChIInChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
InChIKey OFCNXPDARWKPPY-UHFFFAOYSA-N
SmilesC1NC(=O)C2C=NNC=2N=1
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MassMS-NW-3779 pyrazolo(3,4-d)pyrimidin-4-ol C5H4N4O (Mass of molecular ion: 136)
Source Temperature: 220 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 2.6 27.0 2.4 28.0 17.0 29.0 17.2 37.0 1.5 38.0 3.2 39.0 3.1 40.0 1.4 42.0 1.3 43.0 4.2 51.0 4.6 52.0 19.3 53.0 6.8 54.0 1.8 55.0 1.0 64.0 1.1 65.0 1.1 66.0 1.0 67.0 4.5 68.0 2.9 79.0 1.9 80.0 2.5 81.0 1.6 94.0 1.5 109.0 6.0 120.0 2.1 135.0 11.1 136.0 100.0 137.0 7.0
KBr disc
nujol mull
