2,5-二氯硝基苯(89-61-2)质谱(MS)
InChI:InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChIKey: RZKKOBGFCAHLCZ-UHFFFAOYSA-N
Smiles:C1(Cl)=CC=C(Cl)C=C1[N+]([O-])=O
-
Mass
MS-NW-1853
1,4-dichloro-2-nitrobenzene
C6H3Cl2NO2 (Mass of molecular ion: 191)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
26.0 1.2
28.0 6.4
30.0 94.8
35.0 1.6
36.0 2.9
37.0 14.1
38.0 8.5
39.0 1.6
46.0 2.2
47.0 2.7
48.0 1.5
49.0 7.7
50.0 26.3
51.0 4.2
54.5 1.2
60.0 3.8
61.0 8.7
62.0 7.0
63.0 11.1
64.0 1.4
71.0 1.0
72.0 4.3
73.0 23.5
74.0 74.3
75.0 56.3
76.0 4.3
83.0 3.6
84.0 18.9
85.0 13.0
86.0 7.2
87.0 4.9
88.0 1.6
97.0 3.2
98.0 2.2
99.0 1.0
107.0 2.2
108.0 4.5
109.0 100.0
110.0 23.2
111.0 32.8
112.0 7.4
118.0 1.0
119.0 2.5
121.0 1.6
124.0 1.4
126.0 1.8
128.0 1.0
133.0 91.0
134.0 5.2
135.0 58.7
136.0 3.2
137.0 9.7
144.0 1.5
145.0 85.1
146.0 6.7
147.0 53.8
148.0 3.8
149.0 8.6
161.0 9.4
163.0 6.3
165.0 1.0
175.0 2.5
177.0 1.6
191.0 65.2
192.0 4.6
193.0 42.2
194.0 3.0
195.0 6.9
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C6 H3 Cl2 N O2
|
0.043 g : 0.5 ml CDCl3
|
| 1,4-dichloro-2-nitrobenzene
|
 |
Assign. Shift(ppm)
A 7.887
B 7.51
ASSIGNED BY C-H COSY.
|
Hz ppm Int.
3153.44 7.891 240
3152.10 7.888 399
3150.63 7.884 244
3003.78 7.517 984
3002.32 7.513 1000
-
| 1H NMR |
89.56 MHz |
| C6 H3 Cl2 N O2
|
0.048 g : 0.5 ml CDCl3
|
| 1,4-dichloro-2-nitrobenzene
|
|
Assign. Shift(ppm)
A 7.878
B 7.51
|
Hz ppm Int.
707.00 7.895 222
705.63 7.879 391
704.25 7.864 244
702.00 7.839 38
701.19 7.830 30
673.13 7.516 1000
671.75 7.501 925
666.31 7.440 32
665.94 7.436 29
665.06 7.426 27