4-硝基-2-甲苯胺(99-52-5)核磁图(1HNMR)
InChI:InChI=1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3
InChIKey: XTTIQGSLJBWVIV-UHFFFAOYSA-N
Smiles:C1(N)=CC=C([N+]([O-])=O)C=C1C
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Mass
MS-NW-1472
4-nitro-o-toluidine
C7H8N2O2 (Mass of molecular ion: 152)
Source Temperature: 260 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
15.0 1.4
17.0 1.1
18.0 5.3
26.0 1.5
27.0 6.9
28.0 20.3
29.0 1.8
30.0 4.6
31.0 2.0
32.0 4.2
37.0 2.1
38.0 5.2
39.0 17.3
40.0 2.8
41.0 7.9
42.0 5.6
44.0 1.3
46.0 1.0
50.0 8.8
51.0 18.8
52.0 16.8
53.0 13.8
54.0 9.1
55.0 1.8
61.0 1.2
62.0 3.7
63.0 8.9
64.0 3.0
65.0 6.3
66.0 6.9
67.0 4.6
68.0 1.1
74.0 2.7
75.0 2.8
76.0 3.5
77.0 64.3
78.0 17.8
79.0 56.1
80.0 6.6
89.0 2.3
91.0 2.1
93.0 4.3
94.0 14.9
95.0 1.2
104.0 13.8
105.0 7.3
106.0 41.0
107.0 3.6
122.0 54.4
123.0 4.6
136.0 3.5
150.0 1.1
151.0 1.0
152.0 100.0
153.0 9.0
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C7 H8 N2 O2
|
0.039 g : 0.5 ml DMSO-d6
|
| 4-nitro-o-toluidine
|
 |
Assign. Shift(ppm)
A 7.89
B 7.88
C 6.666
D 6.49
E 2.137
90MHZ : HSP-05-905
|
Hz ppm Int.
3156.13 7.898 98
3152.59 7.889 276
3149.66 7.882 50
3143.55 7.866 138
3140.87 7.860 92
2668.58 6.678 235
2659.91 6.656 226
2593.14 6.489 175
854.00 2.137 1000
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| 1H NMR |
89.56 MHz |
| C7 H8 N2 O2
|
0.088 g : 0.5 ml DMSO-d6
|
| 4-nitro-o-toluidine
|
|
Assign. Shift(ppm)
A 7.89
B 7.88
C 6.695
D 6.48
E 2.160
A AND B WERE CONFIRMED BY LAOCN PROGRAM.
|
Hz ppm Int.
713.13 7.963 60
710.38 7.932 223
709.31 7.920 206
707.13 7.896 174
706.63 7.891 173
703.69 7.858 180
701.06 7.828 81
604.31 6.748 203
601.88 6.721 28
600.25 6.703 71
599.06 6.689 46
598.50 6.683 44
594.81 6.642 179
591.06 6.600 24
580.63 6.484 241
193.50 2.161 1000