Α,Α',2,3,5,6-六氯对二甲苯(1079-17-0)核磁图(1HNMR)
InChI:InChI=1S/C8H4Cl6/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2
InChIKey: IYGDLOMSJZQSGY-UHFFFAOYSA-N
Smiles:C1(Cl)=C(CCl)C(Cl)=C(Cl)C(CCl)=C1Cl
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Mass
MS-NW-4735
alpha,alpha',2,3,5,6-hexachloro-p-xylene
C8H4Cl6 (Mass of molecular ion: 310)
Source Temperature: 200 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
35.0 2.2
36.0 6.2
37.0 1.9
38.0 2.0
47.0 1.1
49.0 3.5
50.0 5.3
51.0 2.0
60.0 1.2
61.0 4.1
62.0 2.3
63.0 1.0
66.5 1.6
67.0 2.0
72.0 1.1
73.0 3.4
74.0 5.9
75.0 3.2
83.0 1.0
84.0 4.9
84.5 1.1
85.0 9.5
86.0 3.9
87.0 2.1
96.0 1.3
97.0 2.9
98.0 6.0
99.0 6.2
100.0 1.4
102.0 8.8
102.5 1.9
103.0 8.3
103.5 1.6
104.0 2.9
107.0 1.9
108.0 3.0
109.0 4.2
110.0 1.3
111.0 1.3
119.0 2.5
119.5 1.0
120.0 6.1
120.5 1.5
121.0 5.8
122.0 2.4
123.0 1.0
131.0 1.0
133.0 7.0
134.0 3.8
135.0 5.6
136.0 1.4
137.0 1.4
143.0 1.3
168.0 1.3
169.0 6.2
170.0 23.9
171.0 5.7
172.0 15.1
173.0 1.9
174.0 2.5
191.0 1.0
193.0 1.2
204.0 11.6
205.0 14.7
206.0 11.9
207.0 14.0
208.0 4.8
209.0 4.7
239.0 3.8
240.0 29.1
241.0 7.7
242.0 35.8
243.0 6.1
244.0 18.1
245.0 2.3
246.0 4.2
263.0 1.5
265.0 1.0
274.0 1.5
275.0 61.0
276.0 7.8
277.0 100.0
278.0 10.3
279.0 65.6
280.0 6.1
281.0 20.7
282.0 2.0
283.0 3.4
310.0 18.0
311.0 2.1
312.0 34.4
313.0 3.1
314.0 28.0
315.0 2.7
316.0 11.5
317.0 1.1
318.0 3.0
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| 1H NMR |
300 MHz |
| C8 H4 Cl6
|
0.040 g : 0.5 ml CDCl3
|
| alpha,alpha',2,3,5,6-hexachloro-p-xylene
|
 |
Parameter ppm Hz
D(A) 4.917
|
Hz ppm Int.
1475.10 4.917 1000