1,4-雙(三氯甲基)苯(68-36-0)紅外圖譜(IR1)
InChI:InChI=1S/C8H4Cl6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H
InChIKey: OTEKOJQFKOIXMU-UHFFFAOYSA-N
Smiles:C1(C(Cl)(Cl)Cl)=CC=C(C(Cl)(Cl)Cl)C=C1
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Mass
MS-NW-9551
alpha,alpha,alpha,alpha',alpha',alpha'-hexachloro-p-xylene
C8H4Cl6 (Mass of molecular ion: 310)
Source Temperature: 170 °C
Sample Temperature: 100 °C
Direct, 75 eV
18.0 2.2
36.0 2.5
49.0 1.3
50.0 2.0
61.0 1.1
62.0 1.4
66.5 1.2
67.0 2.5
73.0 1.6
74.0 2.4
75.0 1.4
84.0 2.3
85.0 9.6
85.5 1.0
86.0 5.8
87.0 1.6
97.0 1.2
98.0 2.0
99.0 3.7
102.0 3.4
102.5 1.3
103.0 3.4
103.5 1.3
104.0 1.1
108.0 1.2
109.0 2.0
120.0 13.2
120.5 1.2
121.0 16.7
121.5 1.5
122.0 8.1
123.0 2.7
133.0 2.7
134.0 1.8
135.0 3.6
137.0 1.4
138.0 1.0
169.0 2.4
170.0 14.3
171.0 2.7
172.0 9.3
173.0 1.0
174.0 1.5
204.0 1.2
205.0 2.4
206.0 1.4
207.0 2.3
240.0 38.7
241.0 4.2
242.0 49.3
243.0 5.0
244.0 23.8
245.0 2.2
246.0 5.2
275.0 62.5
276.0 5.9
277.0 100.0
278.0 9.1
279.0 63.9
280.0 5.6
281.0 20.5
282.0 1.8
283.0 3.3
310.0 3.9
312.0 7.4
313.0 1.0
314.0 5.9
316.0 2.5
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| 1H NMR |
300 MHz |
| C8 H4 Cl6
|
0.043 g : 0.5 ml CDCl3
|
| alpha,alpha,alpha,alpha',alpha',alpha'-hexachloro-p-xylene
|
 |
Parameter ppm Hz
D(A) 7.997
|
Hz ppm Int.
2399.10 7.997 1000