2-Amino-5-nitropyrimidine(3073-77-6) IR1
Product Name2-Amino-5-nitropyrimidine
CAS3073-77-6
Molecular FormulaC4H4N4O2
Molecular Weight140.1
InChIInChI=1S/C4H4N4O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H,(H2,5,6,7)
InChIKey SSHFCFRJYJIJDV-UHFFFAOYSA-N
SmilesC1(N)=NC=C([N+]([O-])=O)C=N1
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MassMS-NW-6961 2-amino-5-nitropyrimidine C4H4N4O2 (Mass of molecular ion: 140)
Source Temperature: 170 °C Sample Temperature: 110 °C Direct, 75 eV
17.0 1.2 18.0 4.9 26.0 1.0 27.0 3.5 28.0 27.0 30.0 7.8 38.0 3.4 39.0 5.6 40.0 16.8 41.0 1.9 42.0 8.8 43.0 17.9 44.0 17.0 51.0 3.7 52.0 24.7 53.0 10.1 54.0 3.1 55.0 6.9 65.0 2.0 66.0 6.8 67.0 40.3 68.0 2.2 70.0 5.5 80.0 10.5 81.0 1.1 82.0 7.5 83.0 1.3 93.0 5.9 94.0 4.3 97.0 3.2 107.0 3.3 110.0 4.2 124.0 2.0 140.0 100.0 141.0 6.3
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C4 H4 N4 O2 0.033 g : 0.5 ml DMSO-d6 2-amino-5-nitropyrimidine 
Assign. Shift(ppm)
A 9.027 B 8.19
Hz ppm Int.808.56 9.029 1000 733.63 8.192 212
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
