Product Name2,5-Dibromo-3-isopropyl-6-methylbenzoquinone
CAS29096-93-3
Molecular FormulaC10H10Br2O2
Molecular Weight321.99
InChI
InChIKey
Smiles

Mass
MS-IW-0021 2,5-dibromo-3-isopropyl-6-methyl-p-benzoquinone C10H10Br2O2 (Mass of molecular ion: 320)
Source Temperature: 110 °C Sample Temperature: 80 °C Direct, 75 eV
18.0 4.2
27.0 5.6
28.0 2.1
29.0 1.1
37.0 1.7
38.0 5.6
39.0 25.4
40.0 2.4
41.0 13.7
42.0 1.0
43.0 11.4
44.0 2.0
45.0 2.9
50.0 5.4
51.0 15.6
52.0 6.4
53.0 6.8
55.0 2.0
59.0 2.9
61.0 1.4
62.0 3.2
63.0 7.8
64.0 2.4
65.0 11.9
65.5 1.2
66.0 8.9
66.5 1.3
67.0 46.1
68.0 2.2
74.0 2.2
75.0 2.2
76.0 1.4
77.0 9.5
78.0 4.1
79.0 11.1
80.0 2.3
81.0 1.4
82.0 1.0
85.0 1.3
86.0 1.1
89.0 5.3
90.0 5.4
91.0 17.5
92.0 2.3
93.0 3.6
95.0 2.7
99.0 1.0
103.0 3.7
104.0 1.9
105.0 14.6
106.0 15.0
107.0 1.8
115.0 3.1
116.0 3.7
117.0 3.0
118.0 2.9
119.0 6.5
120.0 1.1
120.5 1.3
121.0 1.1
121.5 1.0
131.0 5.6
132.0 1.2
133.0 12.6
134.0 44.6
135.0 4.6
144.0 2.1
145.0 2.2
146.0 1.7
147.0 12.8
148.0 1.5
157.0 1.5
159.0 1.4
161.0 8.2
162.0 57.3
163.0 6.5
169.0 1.7
170.0 1.6
171.0 2.9
172.0 1.6
173.0 1.8
185.0 8.6
186.0 1.3
187.0 8.0
197.0 2.0
198.0 5.0
199.0 3.3
200.0 4.7
201.0 3.2
203.0 1.2
212.0 1.9
213.0 16.8
214.0 3.4
215.0 16.1
216.0 1.6
225.0 3.7
226.0 20.5
227.0 5.1
228.0 20.8
229.0 2.2
230.0 1.2
239.0 1.3
240.0 3.7
241.0 54.8
242.0 9.8
243.0 53.0
244.0 6.0
249.0 1.1
251.0 2.3
253.0 1.2
264.0 5.6
265.0 1.0
266.0 10.7
267.0 1.2
268.0 5.4
277.0 1.4
279.0 2.9
281.0 1.7
292.0 45.6
293.0 5.5
294.0 89.8
295.0 10.4
296.0 44.4
297.0 5.1
305.0 3.7
307.0 8.5
309.0 6.9
311.0 2.0
320.0 50.1
321.0 6.6
322.0 100.0
323.0 11.9
324.0 51.3
325.0 5.9
326.0 2.1
400 MHz in CDCl3

| 1H NMR | 399.65 MHz |
| C10 H10 Br2 O2 | 0.031 g : 0.5 ml CDCl3 |
| 2,5-dibromo-3-isopropyl-6-methyl-p-benzoquinone | |
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Assign. Shift(ppm) |
Hz ppm Int.
1404.30 3.514 26
1397.34 3.497 66
1390.26 3.479 89
1383.30 3.462 67
1376.22 3.444 27
916.87 2.295 25
915.16 2.290 44
912.11 2.283 1000
908.81 2.275 33
532.84 1.334 925
525.88 1.316 911
in CDCl3

KBr disc

nujol mull


2,5-Dibromo-3-isopropyl-6-methylbenzoquinone(29096-93-3) Raman Atlas of Related Products
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