5-硝基尿嘧啶(611-08-5)ESR圖譜
InChI:InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9)
InChIKey: TUARVSWVPPVUGS-UHFFFAOYSA-N
Smiles:C1(=O)NC=C([N+]([O-])=O)C(=O)N1
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Mass
MS-NW-0730
5-nitro-2,4(1H,3H)-pyrimidinedione
C4H3N3O4 (Mass of molecular ion: 157)
Source Temperature: 210 °C
Sample Temperature: 250 °C
Direct, 75 eV
12.0 2.6
13.0 1.0
14.0 1.1
15.0 3.4
16.0 2.6
17.0 4.7
18.0 21.7
25.0 1.3
26.0 10.4
27.0 59.0
28.0 100.0
29.0 17.6
30.0 43.5
32.0 1.0
38.0 6.2
39.0 14.8
40.0 39.7
41.0 6.8
42.0 23.8
43.0 89.8
44.0 78.8
45.0 1.9
46.0 4.0
48.0 6.2
51.0 1.0
52.0 7.0
53.0 20.1
54.0 12.6
55.0 7.2
56.0 20.3
57.0 2.6
66.0 1.1
67.0 58.4
68.0 7.5
69.0 6.5
70.0 28.9
71.0 19.6
81.0 4.6
82.0 2.0
83.0 1.7
84.0 1.7
95.0 1.0
96.0 4.2
97.0 2.5
98.0 9.0
99.0 7.7
110.0 1.0
111.0 1.2
114.0 3.7
115.0 2.3
127.0 8.7
141.0 3.6
157.0 73.6
158.0 4.5