對溴碘苯(589-87-7)紅外圖譜(IR1)
InChI:InChI=1S/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKey: UCCUXODGPMAHRL-UHFFFAOYSA-N
Smiles:C1(Br)=CC=C(I)C=C1
-
Mass
MS-NW-9318
p-bromoiodobenzene
C6H4BrI (Mass of molecular ion: 282)
Source Temperature: 240 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
37.0 2.0
38.0 1.8
49.0 2.0
50.0 19.1
51.0 2.1
73.0 3.2
74.0 13.1
75.0 23.2
76.0 23.1
77.0 1.4
127.0 2.3
141.0 3.2
142.0 3.1
155.0 41.5
156.0 3.1
157.0 40.6
158.0 2.6
282.0 100.0
283.0 6.7
284.0 97.8
285.0 6.5
90 MHz in CDCl3
parameter in TMS
-
| 1H NMR |
89.56 MHz |
| C6 H4 Br I
|
0.045 g : 0.5 ml CDCl3
|
| p-bromoiodobenzene
|
 |
Assign. Shift(ppm)
A 7.527
B 7.224
|
Hz ppm Int.
682.13 7.617 62
679.63 7.589 589
677.56 7.566 199
673.00 7.515 245
670.88 7.491 1000
668.44 7.464 152
652.63 7.288 135
651.88 7.279 39
650.13 7.260 1000
648.06 7.237 270
643.50 7.186 191
641.44 7.163 579
638.88 7.134 62
-
| 1H NMR |
300 MHz |
| C6 H4 Br I
|
10 mol% in TMS
|
| p-bromoiodobenzene
|
|
Parameter ppm Hz
D(A) 7.148
D(B) 7.462
J(A,A') 2.40
J(A,B) 8.39
J(A,B') 0.30
J(A',B) 0.30
J(A',B') 8.39
J(B,B') 2.35
CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)
|
Hz ppm Int.
2245.84 7.486 91
2243.07 7.477 823
2241.12 7.470 282
2236.48 7.455 311
2234.50 7.448 1000
2231.76 7.439 120
2151.24 7.171 120
2148.50 7.162 1000
2146.52 7.155 311
2141.88 7.140 282
2139.93 7.133 823
2137.17 7.124 92