2,4,6-三氯硝基苯(18708-70-8)Raman光譜
分子式:C6H2Cl3NO2
分子量: 226.44
InChI:InChI=1S/C6H2Cl3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
InChIKey: AEBJDOTVYMITIA-UHFFFAOYSA-N
Smiles:C1(Cl)=CC(Cl)=CC(Cl)=C1[N+]([O-])=O
-
Mass
MS-NW-1416
1,3,5-trichloro-2-nitrobenzene
C6H2Cl3NO2 (Mass of molecular ion: 225)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
18.0 1.4
28.0 4.7
30.0 77.9
35.0 2.4
36.0 5.5
37.0 14.4
38.0 4.7
46.0 3.4
47.0 4.1
48.0 2.0
49.0 6.6
50.0 4.5
51.0 1.1
54.0 2.0
60.0 4.6
61.0 9.7
62.0 7.2
63.0 1.4
71.0 3.5
71.5 1.0
72.0 7.6
73.0 26.5
74.0 60.6
75.0 5.5
83.0 7.9
84.0 28.9
85.0 6.8
86.0 10.4
87.0 3.1
88.0 1.8
95.0 1.5
96.0 2.9
97.0 12.8
98.0 2.9
99.0 3.9
106.0 1.4
107.0 14.4
108.0 34.7
109.0 51.0
110.0 14.7
111.0 15.7
112.0 1.2
118.0 3.6
119.0 5.0
120.0 2.6
121.0 3.3
122.0 1.0
131.0 1.6
132.0 2.9
133.0 1.2
134.0 1.9
143.0 60.8
144.0 32.8
145.0 40.9
146.0 21.2
147.0 7.5
148.0 3.5
158.0 1.5
160.0 3.9
162.0 2.3
167.0 74.8
168.0 4.3
169.0 72.9
170.0 4.1
171.0 23.8
172.0 1.2
173.0 2.7
179.0 53.2
180.0 4.1
181.0 51.3
182.0 3.8
183.0 16.1
184.0 1.2
185.0 1.8
195.0 100.0
196.0 6.8
197.0 96.7
198.0 6.3
199.0 31.5
200.0 2.2
201.0 3.5
209.0 5.2
211.0 5.1
213.0 1.7
225.0 91.6
226.0 6.5
227.0 88.6
228.0 6.3
229.0 28.4
230.0 2.0
231.0 3.2
-
| 1H NMR |
300 MHz |
| C6 H2 Cl3 N O2
|
0.047 g : 0.5 ml CDCl3
|
| 1,3,5-trichloro-2-nitrobenzene
|
 |
Parameter ppm Hz
D(A) 7.464
|
Hz ppm Int.
2239.20 7.464 1000