2,4,4,6-TETRABROMO-2,5-CYCLOHEXADIENONE(20244-61-5) 1H NMR
Molecular FormulaC6H2Br4O
Molecular Weight409.7
InChIInChI=1S/C6H2Br4O/c7-3-1-6(9,10)2-4(8)5(3)11/h1-2H
InChIKey NJQJGRGGIUNVAB-UHFFFAOYSA-N
SmilesC1(=O)C(Br)=CC(Br)(Br)C=C1Br
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Mass
MS-IW-9167
2,4,4,6-tetrabromo-2,5-cyclohexadienone
C6H2Br4O (Mass of molecular ion: 406)
Source Temperature: 150 °C
Sample Temperature: 130 °C
Direct, 75 eV
17.0 1.5
18.0 9.0
25.0 1.9
26.0 1.4
28.0 10.4
29.0 1.1
36.0 5.6
37.0 17.0
38.0 4.6
39.0 1.4
44.0 1.8
45.0 2.4
48.0 1.2
49.0 5.8
50.0 5.4
53.0 12.1
60.0 9.2
61.0 44.4
62.0 76.3
63.0 18.8
64.0 2.2
66.0 1.1
70.0 10.2
70.5 2.5
71.0 11.4
71.5 2.5
72.0 1.3
73.0 3.6
74.0 4.6
79.0 11.5
80.0 16.4
81.0 11.0
82.0 13.2
84.0 1.6
84.5 1.0
85.0 2.9
86.0 2.1
90.0 9.1
91.0 9.1
93.0 1.7
104.0 1.1
106.0 1.0
110.0 11.7
110.5 2.1
111.0 21.8
111.5 2.8
112.0 10.9
112.5 1.3
115.0 1.6
116.0 4.7
117.0 4.9
118.0 4.7
119.0 3.4
124.0 5.5
125.0 10.8
126.0 5.4
131.0 1.3
133.0 1.1
139.0 1.0
140.0 4.7
141.0 46.1
142.0 8.8
143.0 44.4
144.0 4.4
150.0 2.1
151.0 1.4
151.5 2.4
158.0 30.1
160.0 57.2
162.0 27.7
164.0 3.0
165.0 8.3
166.0 7.9
167.0 2.7
169.0 3.4
170.0 7.0
171.0 4.8
172.0 7.1
173.0 3.4
175.0 1.5
195.0 5.1
197.0 9.4
199.0 4.8
219.0 1.0
220.0 13.2
221.0 8.0
222.0 26.3
223.0 12.2
224.0 13.0
225.0 5.6
248.0 14.3
249.0 3.5
250.0 27.7
251.0 6.5
252.0 14.4
253.0 3.1
299.0 13.3
301.0 38.5
302.0 2.4
303.0 38.0
304.0 2.2
305.0 11.8
327.0 17.0
328.0 34.3
329.0 50.5
330.0 100.0
331.0 54.2
332.0 92.5
333.0 21.3
334.0 30.0
335.0 1.9
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1H NMR |
300 MHz |
C6 H2 Br4 O
|
0.038 g : 0.5 ml CDCl3
|
2,4,4,6-tetrabromo-2,5-cyclohexadienone
|
|
Parameter ppm Hz
D(A) 7.787
|
Hz ppm Int.
2336.10 7.787 1000