五氯苯(608-93-5)紅外圖譜(IR1)
InChI:InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey: CEOCDNVZRAIOQZ-UHFFFAOYSA-N
Smiles:C1(Cl)=CC(Cl)=C(Cl)C(Cl)=C1Cl
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Mass
MS-NW-8808
pentachlorobenzene
C6HCl5 (Mass of molecular ion: 248)
Source Temperature: 280 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
36.0 1.8
37.0 2.3
47.0 1.4
49.0 1.0
60.0 1.2
61.0 1.6
71.0 2.8
71.5 1.1
72.0 2.7
73.0 7.0
83.0 1.1
84.0 3.0
89.0 2.7
90.0 2.5
95.0 1.3
96.0 1.4
106.0 1.5
107.0 4.1
108.0 14.7
109.0 2.2
110.0 4.6
118.0 4.2
120.0 2.7
124.0 4.0
125.0 6.2
126.0 4.1
127.0 1.2
142.0 3.9
143.0 8.1
144.0 3.0
145.0 5.2
177.0 4.4
178.0 8.3
179.0 4.9
180.0 8.1
181.0 1.9
182.0 2.6
213.0 15.7
214.0 2.3
215.0 20.2
216.0 2.2
217.0 9.7
219.0 2.1
248.0 62.8
249.0 4.1
250.0 100.0
251.0 6.6
252.0 64.2
253.0 4.2
254.0 20.6
255.0 1.3
256.0 3.4
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| 1H NMR |
300 MHz |
| C6 H Cl5
|
0.048 g : 0.5 ml CDCl3
|
| pentachlorobenzene
|
 |
Parameter ppm Hz
D(A) 7.533
|
Hz ppm Int.
2259.90 7.533 1000