2，6-二溴喹柄-4-氯亞胺(537-45-1)核磁圖(1HNMR)
分子式:C6H2Br2ClNO
分子量: 299.35
InChI:InChI=1S/C6H2Br2ClNO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H
InChIKey: JYWKEVKEKOTYEX-UHFFFAOYSA-N
Smiles:C1(=O)C(Br)=C/C(=N\Cl)/C=C1Br
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Mass
MS-NW-0396
2,6-dibromo-N-chloro-p-benzoquinone monoimine
C6H2Br2ClNO (Mass of molecular ion: 297)
Source Temperature: 130 °C
Sample Temperature: 120 °C
Direct, 75 eV
18.0 2.5
25.0 4.5
26.0 1.3
28.0 1.6
35.0 1.0
36.0 3.9
37.0 6.2
38.0 1.8
48.0 1.5
49.0 6.8
50.0 11.2
51.0 25.4
52.0 11.6
53.0 51.4
54.0 1.8
55.5 1.5
60.0 1.8
61.0 4.8
62.0 3.5
74.0 1.5
75.0 10.6
76.0 23.4
77.0 2.2
78.0 2.2
79.0 2.9
80.0 1.0
81.0 2.6
86.0 6.0
88.0 2.0
95.0 1.4
96.0 1.8
104.0 9.4
105.0 1.5
106.0 9.9
107.0 1.3
110.0 4.1
111.0 3.8
112.0 1.7
113.0 1.3
114.0 9.0
116.0 2.9
128.0 1.1
129.0 4.0
130.0 25.7
131.0 6.1
132.0 24.7
133.0 2.1
141.0 1.5
154.0 12.9
155.0 8.4
156.0 14.9
157.0 10.4
158.0 15.5
159.0 2.9
160.0 13.2
163.0 1.2
165.0 4.3
167.0 12.6
169.0 12.5
171.0 2.9
183.0 3.3
184.0 7.8
185.0 4.2
186.0 7.7
190.0 11.5
192.0 14.8
194.0 3.8
210.0 1.6
218.0 16.2
219.0 1.6
220.0 21.5
221.0 1.9
222.0 5.4
234.0 4.9
236.0 11.3
238.0 8.5
240.0 2.0
262.0 1.1
263.0 9.7
264.0 3.0
265.0 19.4
266.0 2.8
267.0 9.9
269.0 1.5
271.0 2.7
273.0 2.0
297.0 45.0
298.0 3.2
299.0 100.0
300.0 6.8
301.0 68.5
302.0 4.9
303.0 13.4
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C6 H2 Br2 Cl N O
|
0.042 g : 0.5 ml CDCl3
|
| 2,6-dibromo-N-chloro-p-benzoquinone monoimine
|
 |
Assign. Shift(ppm)
A *1 8.268
B *1 7.774
|
Hz ppm Int.
3308.11 8.278 33
3305.54 8.272 1000
3302.98 8.265 990
3300.42 8.259 24
3108.40 7.778 984
3105.83 7.772 967
3103.52 7.766 41
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| 1H NMR |
89.56 MHz |
| C6 H2 Br2 Cl N O
|
saturated in CDCl3
|
| 2,6-dibromo-N-chloro-p-benzoquinone monoimine
|
|
Assign. Shift(ppm)
A 8.258
B 7.763
|
Hz ppm Int.
741.00 8.274 895
738.44 8.246 1000
696.56 7.778 994
695.50 7.766 38
694.00 7.749 892