間硝基乙酰替苯胺(122-28-1)紅外圖譜(IR2)
InChI:InChI=1S/C8H8N2O3/c1-6(11)9-7-3-2-4-8(5-7)10(12)13/h2-5H,1H3,(H,9,11)
InChIKey: KFTYNYHJHKCRKU-UHFFFAOYSA-N
Smiles:C(NC1=CC=CC([N+]([O-])=O)=C1)(=O)C
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Mass
MS-NW-4888
3'-nitroacetanilide
C8H8N2O3 (Mass of molecular ion: 180)
Source Temperature: 170 °C
Sample Temperature: 120 °C
Direct, 75 eV
15.0 6.7
18.0 1.9
28.0 1.9
30.0 2.0
37.0 1.2
38.0 3.2
39.0 6.1
41.0 2.0
42.0 1.6
43.0 100.0
44.0 2.3
50.0 2.6
51.0 2.0
52.0 3.4
53.0 1.2
62.0 1.8
63.0 6.5
64.0 6.7
65.0 21.4
66.0 2.2
75.0 1.1
76.0 1.9
79.0 1.2
80.0 9.4
90.0 1.5
91.0 4.2
92.0 45.8
93.0 4.3
108.0 4.2
122.0 1.4
138.0 79.2
139.0 5.8
180.0 25.8
181.0 2.4
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C8 H8 N2 O3
|
0.053 g : 0.5 ml DMSO-d6
|
| 3'-nitroacetanilide
|
 |
Assign. Shift(ppm)
A 10.4
B 8.623
C 7.91
D 7.89
E 7.598
F 2.121
|
Hz ppm Int.
932.23 10.410 59
774.46 8.648 76
772.41 8.625 143
770.36 8.602 89
713.53 7.968 60
711.40 7.944 117
710.30 7.931 57
709.06 7.918 73
704.81 7.870 148
704.00 7.861 177
702.69 7.847 150
701.81 7.837 154
686.65 7.667 115
680.05 7.594 59
679.32 7.586 47
678.88 7.581 45
677.93 7.570 48
670.46 7.487 42
190.14 2.124 1000
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| 1H NMR |
399.65 MHz |
| C8 H8 N2 O3
|
0.040 g : 0.5 ml DMSO-d6
|
| 3'-nitroacetanilide
|
|
Assign. Shift(ppm)
A 10.4
B 8.634
C 7.90
D 7.596
E 2.123
|
Hz ppm Int.
4170.99 10.437 71
3452.91 8.640 83
3450.78 8.635 147
3448.64 8.630 82
3160.55 7.909 173
3159.64 7.907 79
3158.42 7.903 149
3152.47 7.889 163
3150.02 7.882 133
3043.67 7.616 102
3035.43 7.596 149
3027.34 7.575 79
848.54 2.124 1000