4-硝基咪唑(3034-38-6)Raman光谱
InChI:InChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)
InChIKey: VYDWQPKRHOGLPA-UHFFFAOYSA-N
Smiles:C1NC([N+]([O-])=O)=CN=1
-
Mass
MS-NW-6756
4-nitroimidazole
C3H3N3O2 (Mass of molecular ion: 113)
Source Temperature: 160 °C
Sample Temperature: 160 °C
Direct, 75 eV
13.0 1.0
18.0 2.8
26.0 1.5
27.0 8.9
28.0 100.0
29.0 4.1
30.0 23.1
38.0 8.2
39.0 17.4
40.0 83.5
41.0 3.4
42.0 2.7
43.0 1.3
46.0 1.9
53.0 4.1
54.0 1.9
55.0 22.5
56.0 2.0
66.0 4.4
67.0 23.6
68.0 1.2
69.0 3.3
70.0 2.9
83.0 4.4
97.0 5.8
113.0 72.5
114.0 3.8
400 MHz in DMSO-d6
90 MHz in CDCl3
-
1H NMR |
399.65 MHz |
C3 H3 N3 O2
|
0.038 g : 0.5 ml DMSO-d6
|
4-nitroimidazole
|
|
Assign. Shift(ppm)
A 8.297
B 7.851
|
Hz ppm Int.
3316.77 8.300 938
3315.55 8.297 1000
3138.67 7.854 638
3137.57 7.851 656
-
1H NMR |
89.56 MHz |
C3 H3 N3 O2
|
0.045 g : 0.5 ml DMSO-d6
|
4-nitroimidazole
|
|
Assign. Shift(ppm)
A 13.
B 8.336
C 7.878
|
Hz ppm Int.
1191.31 13.302 34
750.39 8.379 47
747.07 8.342 922
745.70 8.327 1000
740.92 8.273 41
740.04 8.264 33
739.36 8.256 33
738.38 8.245 31
738.18 8.243 31
737.50 8.235 32
737.11 8.231 27
735.84 8.217 27
712.70 7.958 28
705.86 7.882 705
704.59 7.868 711
700.20 7.819 55
697.07 7.784 35
696.19 7.774 34