5-Azacytosine(931-86-2) 1H NMR
Product Name5-Azacytosine
CAS931-86-2
Molecular FormulaC3H4N4O
Molecular Weight112.09
InChIInChI=1S/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1H,(H3,4,5,6,7,8)
InChIKey MFEFTTYGMZOIKO-UHFFFAOYSA-N
SmilesN1C(N)=NC=NC1=O
-
MassMS-NW-9601 4-amino-1,3,5-triazin-2(1H)-one C3H4N4O 1/2H2O (Mass of molecular ion: 112)
Source Temperature: 230 °C Sample Temperature: 210 °C Direct, 75 eV
17.0 1.8 18.0 3.3 27.0 4.7 28.0 13.7 29.0 1.1 41.0 3.6 42.0 20.7 43.0 34.2 44.0 10.6 53.0 1.4 68.0 3.9 69.0 9.9 70.0 8.6 71.0 6.0 84.0 2.2 85.0 6.4 111.0 4.5 112.0 100.0 113.0 7.7 126.0 1.2 127.0 5.2
KBr disc
nujol mull
