2,6-二溴苯胺(608-30-0)紅外圖譜(IR2)
InChI:InChI=1S/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey: XIRRDAWDNHRRLB-UHFFFAOYSA-N
Smiles:C1(N)=C(Br)C=CC=C1Br
-
Mass
MS-NW-1840
2,6-dibromoaniline
C6H5Br2N (Mass of molecular ion: 249)
Source Temperature: 240 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
18.0 2.3
37.0 6.7
38.0 8.7
39.0 5.6
40.0 1.0
41.0 3.4
44.0 1.0
44.5 7.1
45.0 2.9
45.5 12.3
46.0 1.0
49.0 1.2
50.0 1.9
51.0 1.6
52.0 12.5
53.0 1.0
60.0 1.1
61.0 6.5
62.0 10.8
63.0 23.8
64.0 10.7
65.0 7.4
74.0 2.5
75.0 1.2
84.5 4.5
85.0 3.3
85.5 4.5
86.0 3.2
88.0 2.0
89.0 3.2
90.0 61.8
91.0 26.7
92.0 1.8
117.0 1.9
119.0 1.8
124.5 3.2
125.5 5.8
126.5 2.9
143.0 4.5
145.0 3.7
168.0 1.5
169.0 3.7
170.0 13.6
171.0 4.6
172.0 11.5
223.0 1.0
249.0 50.8
250.0 5.0
251.0 100.0
252.0 7.6
253.0 48.1
254.0 3.4
327.0 1.5
329.0 4.2
331.0 3.8
333.0 1.3
90 MHz in CDCl3
parameter in benzene-d6
parameter in cyclohexane
-
| 1H NMR |
89.56 MHz |
| C6 H5 Br2 N
|
0.048 g : 0.5 ml CDCl3
|
| 2,6-dibromoaniline
|
 |
Assign. Shift(ppm)
A 7.353
B 6.466
C 4.4
|
Hz ppm Int.
663.00 7.403 736
662.56 7.398 754
660.38 7.374 63
659.31 7.362 43
658.50 7.353 34
657.63 7.343 32
654.94 7.313 1000
651.50 7.275 48
650.31 7.262 33
649.75 7.255 31
586.75 6.552 237
579.19 6.468 244
578.44 6.459 237
576.31 6.435 35
570.81 6.374 168
397.56 4.440 83
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| 1H NMR |
300 MHz |
| C6 H5 Br2 N
|
3 mol% in benzene-d6
|
| 2,6-dibromoaniline
|
|
Parameter ppm Hz
D(A) 7.039
D(B) 5.990
D(C) 4.02
J(A,B) 7.98
J(A,C) 0.34
J(B,C) 0.00
WASYLISHEN,R. & SCHAEFER,T. CAN.J.CHEM. 48, 1263 (1970)
|
Hz ppm Int.
2115.74 7.052 483
2107.77 7.026 511
1804.89 6.016 171
1796.93 5.990 296
1788.94 5.963 154
1206.04 4.020 1000
-
| 1H NMR |
300 MHz |
| C6 H5 Br2 N
|
3 mol% in cyclohexane
|
| 2,6-dibromoaniline
|
|
Parameter ppm Hz
D(A) 7.233
D(B) 6.318
D(C) 4.42
J(A,B) 8.02
J(A,C) 0.36
J(B,C) 0.00
WASYLISHEN,R. & SCHAEFER,T. CAN.J.CHEM. 48, 1263 (1970)
|
Hz ppm Int.
2173.97 7.247 480
2165.96 7.220 507
1903.31 6.344 175
1895.30 6.318 299
1887.29 6.291 156
1326.03 4.420 1000