5-硝基巴比妥酸(480-68-2)核磁圖(13CNMR)
InChI:InChI=1S/C4H3N3O5/c8-2-1(7(11)12)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)
InChIKey: ABICJYZKIYUWEE-UHFFFAOYSA-N
Smiles:C1(=O)NC(=O)C([N+]([O-])=O)C(=O)N1
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Mass
MS-NW-4992
5-nitrobarbituric acid
C4H3N3O5 3H2O (Mass of molecular ion: 173)
Source Temperature: 160 °C
Sample Temperature: 120 °C
Direct, 75 eV
12.0 2.9
14.0 2.3
15.0 4.4
16.0 4.7
17.0 7.9
18.0 37.8
22.0 1.0
26.0 4.3
27.0 20.4
28.0 43.1
29.0 12.8
30.0 47.5
38.0 1.1
40.0 1.3
41.0 3.2
42.0 18.1
43.0 100.0
44.0 77.4
45.0 1.5
46.0 18.9
52.0 1.8
53.0 1.7
54.0 8.1
55.0 2.5
56.0 4.3
68.0 2.2
69.0 1.7
70.0 29.7
71.0 6.7
85.5 10.8
86.5 1.2
113.0 3.2
114.0 5.0
140.0 1.2
142.0 10.0
143.0 1.7
156.0 4.4
157.0 6.5
173.0 17.5