5-Nitropyrimidine-4,6(1H,5H)-dione(63447-42-7) 1H NMR
Product Name5-Nitropyrimidine-4,6(1H,5H)-dione
CAS63447-42-7
Molecular FormulaC4H3N3O4
Molecular Weight157.08
InChIInChI=1S/C4H3N3O4/c8-3-2(7(10)11)4(9)6-1-5-3/h1-2H,(H,5,6,8,9)
InChIKey OGNJUDFNDMPDSL-UHFFFAOYSA-N
SmilesC1NC(=O)C([N+]([O-])=O)C(=O)N=1
-
MassMS-NW-9675 5-nitro-4,6-pyrimidinediol C4H3N3O4 (Mass of molecular ion: 157)
Source Temperature: 240 °C Sample Temperature: 210 °C Direct, 75 eV
16.0 1.2 17.0 4.4 18.0 22.9 26.0 3.5 27.0 25.8 28.0 73.1 29.0 9.4 30.0 17.1 38.0 2.1 39.0 1.9 40.0 4.4 41.0 6.5 42.0 13.1 43.0 41.0 44.0 66.5 45.0 2.2 46.0 3.8 52.0 1.8 53.0 9.5 54.0 18.6 55.0 6.7 56.0 4.9 66.0 1.1 67.0 2.5 68.0 15.9 69.0 8.4 70.0 55.4 71.0 12.9 72.0 3.2 81.0 3.1 83.0 2.7 84.0 4.2 95.0 10.2 96.0 2.7 97.0 18.3 98.0 2.8 99.0 3.2 110.0 1.4 111.0 1.9 112.0 2.1 113.0 1.2 123.0 2.0 124.0 10.1 127.0 15.5 140.0 4.6 141.0 4.3 157.0 100.0 158.0 10.9 159.0 1.2
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C4 H3 N3 O4 0.030 g : 0.5 ml DMSO-d6 5-nitro-4,6-pyrimidinediol 
Assign. Shift(ppm)
A 13.2 B 8.783
Hz ppm Int.3510.40 8.784 1000
in DMSO-d6
KBr disc
nujol mull
