对二硝基苯(100-25-4)ESR图谱
InChI:InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
InChIKey: FYFDQJRXFWGIBS-UHFFFAOYSA-N
Smiles:C1([N+]([O-])=O)=CC=C([N+]([O-])=O)C=C1
-
Mass
MS-NW-3757
p-dinitrobenzene
C6H4N2O4 (Mass of molecular ion: 168)
Source Temperature: 200 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
18.0 1.0
26.0 1.6
27.0 1.0
28.0 4.9
30.0 100.0
37.0 5.0
38.0 7.7
39.0 5.5
46.0 1.8
49.0 2.0
50.0 53.9
51.0 6.9
52.0 2.5
53.0 3.7
54.0 1.3
61.0 2.8
62.0 4.6
63.0 15.0
64.0 22.8
65.0 1.7
73.0 3.0
74.0 19.6
75.0 81.0
76.0 58.8
77.0 5.5
92.0 28.1
93.0 2.2
122.0 30.6
123.0 2.3
152.0 2.6
168.0 92.1
169.0 6.8
170.0 1.0
parameter in cyclohexane + acetone
parameter in CDCl3
-
| 1H NMR |
300 MHz |
| C6 H4 N2 O4
|
in cyclohexane + acetone
|
| p-dinitrobenzene
|
 |
Parameter ppm Hz
D(A) 8.413
MARTIN,J. & DAILEY,B.P. J.CHEM.PHYS. 37, 2594 (1962)
|
Hz ppm Int.
2523.90 8.413 1000
-
| 1H NMR |
300 MHz |
| C6 H4 N2 O4
|
0.039 g : 0.5 ml CDCl3
|
| p-dinitrobenzene
|
|
Parameter ppm Hz
D(A) 8.456
|
Hz ppm Int.
2536.80 8.456 1000
ANION RADICAL, ELECTROREDUCTION IN DMF, RT
ANION RADICAL, ELECTROLYTIC REDUCTION IN CH3CN
ANION RADICAL, ELECTROLYTIC REDUCTION IN DMF