4-硝基二苯胺(836-30-6)红外图谱(IR1)
分子式:C12H10N2O2
分子量: 214.22
InChI:InChI=1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H
InChIKey: XXYMSQQCBUKFHE-UHFFFAOYSA-N
Smiles:C1(NC2=CC=CC=C2)=CC=C([N+]([O-])=O)C=C1
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Mass
MS-NW-1765
4-nitrodiphenylamine
C12H10N2O2 (Mass of molecular ion: 214)
Source Temperature: 180 °C
Sample Temperature: 160 °C
Direct, 75 eV
27.0 1.5
28.0 1.7
30.0 1.9
38.0 2.7
39.0 8.7
50.0 7.5
51.0 14.2
52.0 3.6
62.0 2.0
63.0 8.6
64.0 4.9
65.0 9.3
66.0 1.2
69.5 1.5
70.5 1.5
74.0 2.2
75.0 2.6
76.0 3.6
77.0 16.9
78.0 2.7
83.5 5.5
84.0 1.4
89.0 3.0
90.0 3.8
91.0 2.1
102.0 1.0
103.0 1.6
113.0 1.0
114.0 1.4
115.0 6.6
116.0 1.6
117.0 1.8
127.0 1.5
128.0 5.1
129.0 4.6
130.0 1.6
139.0 7.4
140.0 6.0
141.0 3.8
154.0 2.1
155.0 1.1
156.0 1.6
166.0 13.3
167.0 79.2
168.0 36.1
169.0 4.2
184.0 31.6
185.0 4.2
198.0 1.3
214.0 100.0
215.0 13.9
216.0 1.3
90 MHz in CDCl3
90 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C12 H10 N2 O2
|
0.045 g : 0.5 ml CDCl3
|
| 4-nitrodiphenylamine
|
 |
Assign. Shift(ppm)
A 8.082
B 7.50 to 7.03
C 6.933
D 6.50
|
Hz ppm Int.
732.19 8.176 74
728.94 8.140 781
726.88 8.117 227
721.88 8.061 228
719.75 8.037 966
716.50 8.001 102
670.19 7.484 83
668.81 7.468 132
667.00 7.448 99
663.00 7.403 152
661.63 7.388 274
659.50 7.364 361
657.44 7.341 128
654.63 7.310 605
653.94 7.302 540
650.25 7.261 220
647.88 7.235 917
646.44 7.218 498
644.88 7.201 169
642.75 7.177 246
640.94 7.157 332
638.81 7.133 393
635.31 7.094 77
633.88 7.078 64
632.06 7.058 89
628.19 7.015 108
625.13 6.981 1000
623.00 6.957 263
618.00 6.901 215
615.88 6.877 826
612.63 6.841 85
582.44 6.504 138
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| 1H NMR |
89.56 MHz |
| C12 H10 N2 O2
|
0.036 g : 0.5 ml DMSO-d6
|
| 4-nitrodiphenylamine
|
|
Assign. Shift(ppm)
A 9.28
B 8.091
C 7.37
D 7.26
E 7.09
F 7.08
D AND E WERE CONFIRMED BY LAOCN PROGRAM.
|
Hz ppm Int.
831.44 9.284 248
732.94 8.184 65
729.69 8.148 780
727.56 8.124 200
722.56 8.068 210
720.38 8.044 915
717.13 8.008 95
671.94 7.503 69
670.81 7.491 140
669.00 7.470 61
664.94 7.425 179
663.25 7.406 301
662.06 7.393 296
659.13 7.360 97
656.56 7.331 592
655.75 7.322 513
654.75 7.311 390
654.06 7.304 437
652.38 7.285 762
651.88 7.279 765
649.06 7.248 95
646.94 7.224 159
645.25 7.205 256
643.81 7.189 243
642.38 7.173 187
641.50 7.163 165
640.19 7.149 100
637.88 7.123 1000
635.56 7.097 465
632.50 7.063 78
630.75 7.043 232
628.50 7.018 749
627.06 7.002 95
626.13 6.992 47
625.19 6.981 74