甲基五氯苯基硫(1825-19-0)質(zhì)譜(MS)
InChI:InChI=1S/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
InChIKey: LGZZJTIUEJNNKV-UHFFFAOYSA-N
Smiles:C1(Cl)=C(SC)C(Cl)=C(Cl)C(Cl)=C1Cl
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Mass
MS-NW-9687
pentachloro(methylthio)benzene
C7H3Cl5S (Mass of molecular ion: 294)
Source Temperature: 180 °C
Sample Temperature: 110 °C
Direct, 75 eV
45.0 5.6
46.0 1.1
47.0 4.3
79.0 2.1
95.0 2.1
103.0 2.8
105.0 1.1
107.0 1.7
108.0 1.0
111.5 1.1
112.5 1.1
118.0 1.2
123.0 1.0
127.0 1.4
130.0 1.3
139.0 4.8
141.0 2.6
142.0 3.5
143.0 1.9
144.0 2.3
145.0 1.0
147.0 1.1
148.0 1.5
165.0 2.7
167.0 2.6
174.0 4.3
176.0 3.0
177.0 2.3
178.0 1.5
179.0 2.3
180.0 1.3
189.0 2.9
191.0 2.2
209.0 3.4
211.0 3.5
212.0 2.1
213.0 1.9
214.0 2.5
215.0 1.0
216.0 1.4
223.0 2.1
224.0 2.8
225.0 2.4
226.0 3.3
227.0 1.4
228.0 1.7
235.0 1.3
237.0 1.9
239.0 1.3
244.0 28.7
245.0 2.3
246.0 38.6
247.0 3.3
248.0 22.7
249.0 2.2
250.0 9.5
251.0 1.0
252.0 3.6
254.0 1.1
258.0 1.9
259.0 6.8
260.0 2.9
261.0 30.4
262.0 3.6
263.0 39.5
264.0 3.4
265.0 23.8
266.0 1.9
267.0 7.5
269.0 1.2
279.0 11.6
281.0 18.9
282.0 1.5
283.0 12.6
284.0 1.0
285.0 4.3
294.0 61.6
295.0 6.4
296.0 100.0
297.0 9.2
298.0 66.6
299.0 5.7
300.0 22.4
301.0 1.8
302.0 4.1
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| 1H NMR |
300 MHz |
| C7 H3 Cl5 S
|
0.037 g : 0.5 ml CDCl3
|
| pentachloro(methylthio)benzene
|
 |
Parameter ppm Hz
D(A) 2.469
|
Hz ppm Int.
740.70 2.469 1000