2-硝基苯胺(88-74-4)红外图谱(IR1)
InChI:InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2
InChIKey: DPJCXCZTLWNFOH-UHFFFAOYSA-N
Smiles:C1(N)=CC=CC=C1[N+]([O-])=O
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Mass
MS-NW-1710
o-nitroaniline
C6H6N2O2 (Mass of molecular ion: 138)
Source Temperature: 240 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
18.0 2.0
26.0 2.6
27.0 4.7
28.0 8.9
30.0 6.3
37.0 7.2
38.0 15.4
39.0 41.4
40.0 4.3
41.0 7.6
42.0 4.1
46.0 1.0
49.0 1.5
50.0 7.1
51.0 10.7
52.0 25.1
53.0 9.8
54.0 3.1
61.0 4.1
62.0 8.0
63.0 20.9
64.0 16.2
65.0 100.0
66.0 13.7
74.0 2.3
75.0 2.4
76.0 2.3
77.0 3.3
78.0 3.2
79.0 2.2
80.0 27.6
81.0 1.8
90.0 3.6
91.0 10.2
92.0 60.1
93.0 4.3
108.0 13.8
109.0 1.0
121.0 3.2
122.0 2.2
138.0 66.6
139.0 4.8
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C6H6N2O2
|
0.038 g : 0.5 ml CDCl3
|
| 2-nitroaniline
|
 |
Assign. Shift(ppm)
A 8.097
B 7.349
C 6.823
D 6.688
E 6.1
|
Hz ppm Int.
3241.83 8.109 736
3240.36 8.106 761
3233.16 8.088 753
3231.69 8.084 779
2946.29 7.370 455
2944.83 7.367 463
2939.34 7.353 520
2937.87 7.349 933
2936.41 7.345 536
2930.91 7.332 515
2929.45 7.328 516
2732.30 6.835 895
2732.06 6.834 892
2731.08 6.832 1000
2730.72 6.831 921
2724.00 6.814 828
2723.64 6.813 836
2722.66 6.811 916
2722.30 6.810 846
2681.89 6.709 755
2680.67 6.706 732
2674.93 6.691 754
2673.59 6.688 951
2673.34 6.687 904
2672.00 6.684 758
2666.39 6.670 684
2665.04 6.667 688
2448.61 6.125 248
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| 1H NMR |
89.56 MHz |
| C6 H6 N2 O2
|
0.042 g : 0.5 ml CDCl3
|
| o-nitroaniline
|
|
Assign. Shift(ppm)
A 8.090
B 7.336
C 6.81
D 6.68
E 6.1
J(A,B)=1.6HZ, J(A,C)=0.4HZ, J(A,D)=8.6HZ,
J(B,C)=8.5HZ, J(B,D)=6.9HZ,J(C,D)=1.4HZ
|
Hz ppm Int.
730.31 8.155 452
729.88 8.150 455
728.75 8.138 531
728.31 8.133 485
725.63 8.103 48
721.75 8.059 511
721.31 8.054 512
720.13 8.041 605
719.75 8.037 547
666.75 7.445 332
665.19 7.428 344
659.94 7.369 427
658.31 7.351 858
656.75 7.334 507
653.75 7.300 48
651.50 7.275 611
649.88 7.257 589
647.94 7.235 48
615.31 6.871 482
614.88 6.866 558
613.94 6.856 761
613.50 6.851 668
606.81 6.776 1000
605.44 6.761 909
599.94 6.699 505
598.25 6.680 629
596.88 6.665 457
591.31 6.603 413
589.94 6.588 374
545.31 6.089 149