N-苯基鄰氨基苯甲酸(91-40-7)Raman光譜
分子式:C13H11NO2
分子量: 213.23
InChI:InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
InChIKey: ZWJINEZUASEZBH-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC=CC=C1NC1=CC=CC=C1
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Mass
MS-NW-0342
o-anilinobenzoic acid
C13H11NO2 (Mass of molecular ion: 213)
Source Temperature: 180 °C
Sample Temperature: 120 °C
Direct, 75 eV
18.0 1.5
27.0 1.0
28.0 1.4
38.0 1.1
39.0 5.0
50.0 2.7
51.0 8.9
52.0 1.5
63.0 3.3
64.0 3.4
65.0 3.8
66.0 1.1
69.5 1.5
70.0 1.3
70.5 3.0
74.0 1.0
75.0 1.3
76.0 1.6
77.0 13.7
78.0 1.4
82.5 1.7
83.5 11.3
84.0 1.7
84.5 1.2
89.0 1.0
91.0 1.0
92.0 9.0
97.5 1.2
115.0 1.8
139.0 6.0
140.0 4.7
141.0 1.2
165.0 1.1
166.0 13.0
167.0 29.4
168.0 7.0
169.0 2.6
194.0 1.8
195.0 100.0
196.0 15.7
197.0 1.4
213.0 63.7
214.0 9.4
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C13 H11 N O2
|
0.039 g : 0.5 ml DMSO-d6
|
| o-anilinobenzoic acid
|
 |
Assign. Shift(ppm)
A 13.
B 9.68
C 7.937
D 7.394
E 7.367
F 7.26
G 7.25
J 7.084
K 6.792
ASSIGNED BY C-H COSY
|
Hz ppm Int.
3869.60 9.683 51
3177.05 7.950 410
3175.56 7.946 421
3169.15 7.930 443
3167.44 7.926 428
2963.58 7.416 225
2961.88 7.412 230
2956.53 7.398 291
2955.04 7.395 481
2953.33 7.390 438
2952.69 7.389 547
2950.55 7.383 213
2947.99 7.377 403
2946.28 7.373 587
2945.21 7.370 763
2944.14 7.367 888
2942.22 7.362 173
2938.80 7.354 257
2936.87 7.349 745
2934.74 7.344 126
2906.53 7.273 195
2904.82 7.269 845
2903.54 7.266 1000
2900.76 7.259 582
2899.69 7.256 602
2898.20 7.252 305
2897.13 7.250 433
2896.27 7.248 739
2895.21 7.245 602
2892.00 7.237 427
2891.15 7.235 406
2839.22 7.105 183
2838.15 7.102 313
2836.87 7.099 178
2831.74 7.086 264
2830.89 7.084 517
2824.69 7.068 154
2823.41 7.065 259
2822.34 7.063 139
2722.55 6.813 285
2721.48 6.810 289
2715.50 6.795 336
2714.43 6.793 493
2713.57 6.790 333
2707.59 6.775 271
2706.31 6.772 259
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| 1H NMR |
89.56 MHz |
| C13 H11 N O2
|
0.036 g : 0.5 ml CDCl3
|
| o-anilinobenzoic acid
|
|
Assign. Shift(ppm)
A *1 11.
B *1 9.3
C 8.05
D 7.51 to 6.99
E 6.750
|
Hz ppm Int.
832.62 9.297 52
726.15 8.108 147
725.72 8.104 156
724.52 8.090 177
724.10 8.086 167
718.20 8.020 160
717.60 8.013 172
716.66 8.003 188
715.98 7.995 171
669.49 7.476 58
668.21 7.462 101
667.27 7.451 85
666.33 7.441 67
665.56 7.432 85
664.45 7.420 42
663.26 7.406 77
662.49 7.398 113
660.52 7.376 317
659.33 7.362 321
658.73 7.356 261
657.02 7.337 235
654.46 7.308 742
653.77 7.300 734
653.09 7.293 714
652.23 7.283 1000
650.61 7.265 406
650.01 7.258 369
649.50 7.253 358
648.05 7.236 564
645.23 7.205 282
643.60 7.187 176
642.32 7.172 117
641.38 7.162 127
640.87 7.156 131
639.76 7.144 165
638.13 7.126 91
636.77 7.110 151
633.26 7.071 70
630.44 7.040 70
628.39 7.017 37
612.07 6.835 146
610.36 6.816 134
605.66 6.763 129
603.96 6.744 220
602.16 6.724 127
597.72 6.674 111
595.84 6.653 101