4-硝基碘苯(636-98-6)红外图谱(IR2)
InChI:InChI=1S/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChIKey: SCCCFNJTCDSLCY-UHFFFAOYSA-N
Smiles:C1(I)=CC=C([N+]([O-])=O)C=C1
-
Mass
MS-NW-8946
p-iodonitrobenzene
C6H4INO2 (Mass of molecular ion: 249)
Source Temperature: 270 °C
Sample Temperature: 140 °C
Reservoir, 75 eV
18.0 1.4
28.0 1.3
30.0 3.0
37.0 1.6
38.0 2.4
49.0 1.2
50.0 27.3
51.0 2.0
62.0 1.0
63.0 2.8
64.0 5.5
73.0 2.2
74.0 11.7
75.0 12.8
76.0 65.9
77.0 4.5
92.0 9.0
127.0 1.4
191.0 10.4
203.0 32.5
204.0 2.2
219.0 21.3
220.0 1.4
233.0 1.6
249.0 100.0
250.0 7.0
400 MHz in CDCl3
parameter in acetone
-
| 1H NMR |
399.65 MHz |
| C6 H4 I N O2
|
0.041 g : 0.5 ml CDCl3
|
| p-iodonitrobenzene
|
 |
Assign. Shift(ppm)
A *1 7.946
B *1 7.921
|
Hz ppm Int.
3182.50 7.964 239
3180.05 7.958 132
3175.90 7.947 232
3173.22 7.940 978
3171.88 7.937 316
3169.56 7.931 314
3167.97 7.927 1000
3165.41 7.921 216
3161.25 7.911 136
3159.67 7.907 130
3158.69 7.904 245
3157.10 7.900 55
-
| 1H NMR |
300 MHz |
| C6 H4 I N O2
|
2 mol% in acetone
|
| p-iodonitrobenzene
|
|
Parameter ppm Hz
D(A) 8.08
D(B) 8.00
J(A,A') 2.8
J(A,B) 8.8
J(A,B') 0.2
J(A',B) 0.2
J(A',B') 8.8
J(B,B') 2.0
DISCHLER,B. Z.NATURFORSCH. 20A, 888 (1965)
|
Hz ppm Int.
2431.81 8.106 59
2429.36 8.098 494
2427.28 8.091 192
2422.35 8.074 285
2420.22 8.067 1000
2417.82 8.059 165
2406.18 8.021 165
2403.79 8.013 1000
2401.65 8.005 285
2396.72 7.989 192
2394.64 7.982 494
2392.19 7.974 59