2-硝基咪唑(527-73-1)質(zhì)譜(MS)
InChI:InChI=1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)
InChIKey: YZEUHQHUFTYLPH-UHFFFAOYSA-N
Smiles:C1([N+]([O-])=O)NC=CN=1
-
Mass
MS-NW-6781
2-nitroimidazole
C3H3N3O2 (Mass of molecular ion: 113)
Source Temperature: 140 °C
Sample Temperature: 110 °C
Direct, 75 eV
13.0 1.1
17.0 1.0
18.0 3.9
26.0 2.7
27.0 6.3
28.0 44.4
29.0 1.9
30.0 40.8
38.0 7.3
39.0 17.2
40.0 100.0
41.0 12.6
46.0 5.2
53.0 3.4
54.0 1.5
56.0 28.4
66.0 5.8
67.0 18.0
69.0 5.5
83.0 48.6
84.0 2.1
97.0 8.8
113.0 59.2
114.0 2.9
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| 1H NMR |
300 MHz |
| C3 H3 N3 O2
|
0.045 g : 0.5 ml DMSO-d6
|
| 2-nitroimidazole
|
 |
Parameter ppm Hz
D(A) 7.408
|
Hz ppm Int.
2222.40 7.408 1000