2,3,4,5-四氯硝基苯(879-39-0)核磁图(13CNMR)
分子式:C6HCl4NO2
分子量: 260.89
InChI:InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H
InChIKey: MTBYTWZDRVOMBR-UHFFFAOYSA-N
Smiles:C1(Cl)=CC([N+]([O-])=O)=C(Cl)C(Cl)=C1Cl
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Mass
MS-NW-6748
1,2,3,4-tetrachloro-5-nitrobenzene
C6HCl4NO2 (Mass of molecular ion: 259)
Source Temperature: 180 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
18.0 1.3
28.0 1.0
30.0 62.5
35.0 3.0
36.0 5.9
37.0 8.7
38.0 1.1
46.0 3.2
47.0 5.1
48.0 1.8
49.0 3.0
60.0 5.1
61.0 8.0
62.0 1.4
71.0 6.9
71.5 1.4
72.0 6.8
72.5 1.1
73.0 23.4
74.0 2.6
83.0 5.0
84.0 11.6
85.0 3.1
86.0 5.2
87.0 2.4
89.0 2.0
90.0 2.2
94.0 1.9
95.0 2.9
96.0 6.3
97.0 1.7
98.0 2.5
106.0 2.7
107.0 11.3
108.0 56.3
109.0 8.9
110.0 18.8
111.0 1.9
117.0 1.5
118.0 12.2
119.0 3.1
120.0 8.1
121.0 2.1
122.0 2.3
130.0 1.2
131.0 8.5
132.0 1.6
133.0 5.6
135.0 1.0
141.0 3.8
142.0 13.3
143.0 35.6
144.0 11.2
145.0 22.8
146.0 3.4
147.0 4.1
153.0 1.1
155.0 1.0
166.0 1.9
167.0 1.0
168.0 2.0
177.0 22.5
178.0 47.1
179.0 24.4
180.0 46.2
181.0 10.4
182.0 15.2
183.0 1.9
184.0 2.0
192.0 1.1
194.0 4.9
196.0 5.2
198.0 2.5
201.0 73.8
202.0 4.6
203.0 94.5
204.0 5.8
205.0 46.5
206.0 2.9
207.0 10.5
209.0 1.0
212.0 1.2
213.0 69.4
214.0 6.2
215.0 89.4
216.0 6.9
217.0 43.7
218.0 3.3
219.0 9.7
221.0 1.0
229.0 20.3
230.0 1.8
231.0 25.4
232.0 2.2
233.0 12.7
234.0 1.1
235.0 3.0
243.0 2.2
245.0 3.0
247.0 1.5
259.0 77.6
260.0 5.9
261.0 100.0
262.0 7.1
263.0 48.8
264.0 3.7
265.0 11.0
267.0 1.0
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| 1H NMR |
300 MHz |
| C6 H Cl4 N O2
|
0.044 g : 0.5 ml CDCl3
|
| 1,2,3,4-tetrachloro-5-nitrobenzene
|
 |
Parameter ppm Hz
D(A) 7.895
|
Hz ppm Int.
2368.50 7.895 1000