4-溴苯胺(106-40-1)核磁圖(1HNMR)
InChI:InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChIKey: WDFQBORIUYODSI-UHFFFAOYSA-N
Smiles:C1(N)=CC=C(Br)C=C1
-
Mass
MS-NW-8784
p-bromoaniline
C6H6BrN (Mass of molecular ion: 171)
Source Temperature: 270 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
18.0 4.8
28.0 2.7
31.0 1.5
37.0 2.4
38.0 5.0
39.0 11.7
40.0 1.6
41.0 4.7
42.0 1.3
44.5 1.9
45.5 13.5
46.0 2.4
50.0 3.3
51.0 1.8
52.0 4.2
61.0 2.4
62.0 4.4
63.0 9.2
64.0 6.5
65.0 59.2
66.0 6.1
74.0 1.7
75.0 1.5
85.5 6.6
86.5 6.4
90.0 2.1
91.0 6.9
92.0 62.6
93.0 4.5
117.0 1.2
119.0 1.2
143.0 2.0
145.0 2.0
171.0 100.0
172.0 7.8
173.0 97.1
174.0 6.8
90 MHz in CDCl3
parameter in acetone
-
| 1H NMR |
89.56 MHz |
| C6 H6 Br N
|
0.048 g : 0.5 ml CDCl3
|
| p-bromoaniline
|
 |
Assign. Shift(ppm)
A 7.214
B 6.542
C 3.35
|
Hz ppm Int.
654.13 7.304 61
651.06 7.270 764
650.44 7.263 220
648.88 7.246 260
644.44 7.196 250
642.19 7.171 1000
639.19 7.138 100
592.75 6.619 100
589.75 6.585 984
589.19 6.579 278
587.50 6.560 240
583.06 6.511 214
580.88 6.486 734
577.81 6.452 63
305.06 3.407 31
299.81 3.348 367
295.81 3.303 65
294.25 3.286 38
293.44 3.277 31
-
| 1H NMR |
300 MHz |
| C6 H6 Br N
|
13 mol% in acetone
|
| p-bromoaniline
|
|
Parameter ppm Hz
D(A) 7.15
D(B) 6.61
J(A,A') 2.7
J(A,B) 8.5
J(A,B') 0.3
J(A',B) 0.3
J(A',B') 8.5
J(B,B') 2.5
D(C) 4.30
DISCHLER,B. Z.NATURFORSCH. 20A, 888 (1965)
|
Hz ppm Int.
2152.56 7.175 33
2149.46 7.165 317
2147.39 7.158 107
2142.87 7.143 113
2140.77 7.136 355
2137.70 7.126 39
1990.32 6.634 39
1987.24 6.624 358
1985.15 6.617 113
1980.63 6.602 107
1978.56 6.595 319
1975.46 6.585 33
1289.99 4.300 1000