對(duì)碘苯胺(540-37-4)紅外圖譜(IR1)
InChI:InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChIKey: VLVCDUSVTXIWGW-UHFFFAOYSA-N
Smiles:C1(N)=CC=C(I)C=C1
-
Mass
MS-NW-1517
p-iodoaniline
C6H6IN (Mass of molecular ion: 219)
Source Temperature: 250 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
28.0 2.3
37.0 3.5
38.0 6.7
39.0 18.2
40.0 2.2
41.0 6.7
42.0 1.8
50.0 4.6
51.0 2.4
52.0 6.7
54.0 1.3
61.0 3.3
62.0 5.5
63.0 12.3
64.0 10.0
65.0 59.1
66.0 7.0
74.0 2.3
75.0 1.3
90.0 1.7
91.0 8.0
92.0 57.6
93.0 4.1
109.5 5.6
127.0 5.3
191.0 1.0
218.0 1.0
219.0 100.0
220.0 7.0
parameter in acetone
90 MHz in CDCl3
-
| 1H NMR |
300 MHz |
| C6 H6 I N
|
11 mol% in acetone
|
| p-iodoaniline
|
 |
Parameter ppm Hz
D(A) 7.30
D(B) 6.50
J(A,A') 2.3
J(A,B) 8.4
J(A,B') 0.3
J(A',B) 0.3
J(A',B') 8.4
J(B,B') 2.6
D(C) 4.30
DISCHLER,B. Z.NATURFORSCH. 20A, 888 (1965)
|
Hz ppm Int.
2197.25 7.324 36
2194.40 7.315 323
2192.38 7.308 108
2187.80 7.293 113
2185.78 7.286 352
2182.94 7.276 40
1957.11 6.524 40
1954.23 6.514 349
1952.24 6.507 113
1947.64 6.492 108
1945.64 6.485 323
1942.77 6.476 35
1289.99 4.300 1000
-
| 1H NMR |
89.56 MHz |
| C6 H6 I N
|
0.037 g : 0.5 ml CDCl3
|
| p-iodoaniline
|
|
Assign. Shift(ppm)
A 3.61
B 6.449
C 7.389
|
Hz ppm Int.
669.31 7.474 79
666.38 7.441 871
665.69 7.433 239
664.25 7.417 241
659.81 7.368 245
658.25 7.350 314
657.63 7.343 1000
654.75 7.311 97
584.38 6.526 102
581.56 6.494 977
580.88 6.486 264
579.38 6.470 250
574.88 6.419 225
573.44 6.403 240
572.75 6.396 839
569.81 6.363 67
323.06 3.608 145
OXIDATION WITH PERBENZOIC ACID