三溴苯酚(118-79-6)質(zhì)譜(MS)
InChI:InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey: BSWWXRFVMJHFBN-UHFFFAOYSA-N
Smiles:C1(O)=C(Br)C=C(Br)C=C1Br
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Mass
MS-NW-0292
2,4,6-tribromophenol
C6H3Br3O (Mass of molecular ion: 328)
Source Temperature: 150 °C
Sample Temperature: 0 °C
Direct, 75 eV
18.0 1.5
37.0 3.6
38.0 1.4
49.0 1.0
50.0 1.0
53.0 4.2
60.0 2.1
61.0 10.4
62.0 18.1
63.0 9.0
70.0 1.9
71.0 2.0
73.0 1.4
74.0 1.9
85.0 1.0
90.0 4.1
91.0 4.2
110.0 2.1
111.0 4.2
112.0 2.1
117.0 1.4
118.0 1.0
119.0 1.0
125.0 1.7
140.0 1.0
141.0 13.2
142.0 2.5
143.0 13.0
144.0 1.5
164.0 1.3
165.0 3.8
166.0 3.9
167.0 1.2
169.0 1.6
170.0 4.1
171.0 1.9
172.0 3.9
197.0 1.0
220.0 4.3
221.0 3.5
222.0 8.6
223.0 6.3
224.0 4.3
225.0 3.0
248.0 4.0
249.0 1.1
250.0 7.5
251.0 2.2
252.0 3.8
253.0 1.1
301.0 1.5
303.0 1.5
328.0 34.5
329.0 2.8
330.0 100.0
331.0 6.9
332.0 98.0
333.0 6.8
334.0 32.0
335.0 2.1
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| 1H NMR |
399.65 MHz |
| C6 H3 Br3 O
|
0.039 g : 0.5 ml CDCl3
|
| 2,4,6-tribromophenol
|
 |
Assign. Shift(ppm)
A 7.588
B 5.94
|
Hz ppm Int.
3032.59 7.589 1000