3-碘苯胺(626-01-7)紅外圖譜(IR1)
InChI:InChI=1S/C6H6IN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
InChIKey: FFCSRWGYGMRBGD-UHFFFAOYSA-N
Smiles:C1(N)=CC=CC(I)=C1
-
Mass
MS-NW-0690
m-iodoaniline
C6H6IN (Mass of molecular ion: 219)
Source Temperature: 200 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
18.0 1.6
28.0 3.2
37.0 1.9
38.0 4.5
39.0 11.2
40.0 1.2
41.0 2.7
50.0 2.0
51.0 1.2
52.0 4.1
61.0 1.6
62.0 3.1
63.0 6.8
64.0 6.0
65.0 38.9
66.0 4.5
74.0 1.8
90.0 1.2
91.0 7.3
92.0 65.6
93.0 5.0
109.5 7.2
127.0 3.6
219.0 100.0
220.0 7.0
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C6 H6 I N
|
0.05 ml : 0.5 ml CDCl3
|
| m-iodoaniline
|
 |
Assign. Shift(ppm)
A 7.029
B 6.955
C 6.808
D 6.540
E 3.56
90MHZ:HSP-04-515
|
Hz ppm Int.
2814.70 7.043 419
2813.72 7.041 475
2813.11 7.039 459
2812.13 7.037 399
2809.94 7.032 80
2806.88 7.024 476
2806.03 7.022 551
2805.30 7.020 543
2804.44 7.018 460
2799.19 7.005 32
2792.36 6.988 30
2791.99 6.987 30
2791.63 6.986 30
2790.04 6.982 31
2781.74 6.961 705
2779.91 6.956 827
2777.83 6.951 646
2733.28 6.840 34
2728.88 6.829 618
2725.22 6.820 66
2724.00 6.816 70
2720.83 6.809 1000
2716.19 6.797 56
2713.01 6.789 595
2709.47 6.780 35
2619.26 6.554 478
2618.29 6.552 456
2616.94 6.549 474
2616.09 6.546 420
2611.21 6.534 415
2610.23 6.532 399
2608.89 6.528 415
2607.91 6.526 366
1423.22 3.562 182
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| 1H NMR |
89.56 MHz |
| C6 H6 I N
|
0.045 g : 0.5 ml CDCl3
|
| m-iodoaniline
|
|
Assign. Shift(ppm)
A 7.04
B 7.01
C 6.84
D 6.595
E 3.55
J(A,B)=1.4HZ
J(A,C)=7.6HZ
J(A,D)=1.4HZ
J(B,C)=0.8HZ
J(B,D)=2.3HZ
J(C,D)=7.9HZ
400MHZ:HSP-44-804
|
Hz ppm Int.
637.69 7.121 96
636.19 7.104 193
634.81 7.089 161
630.13 7.036 290
629.13 7.025 1000
627.56 7.008 668
626.38 6.994 258
620.00 6.923 225
619.00 6.912 142
613.44 6.850 100
612.13 6.835 386
611.38 6.827 280
604.94 6.755 195
604.13 6.746 199
595.06 6.645 272
593.69 6.629 289
592.81 6.620 263
591.44 6.604 238
587.19 6.557 151
585.63 6.539 160
585.19 6.535 138
583.63 6.517 124
318.31 3.555 669