N-Phenylanthranilic acid(91-40-7) MS
Product NameN-Phenylanthranilic acid
CAS91-40-7
Molecular FormulaC13H11NO2
Molecular Weight213.23
InChIInChI=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
SmilesC(O)(=O)C1=CC=CC=C1NC1=CC=CC=C1
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MassMS-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
in DMSO-d6
CCl4 solution
KBr disc
nujol mull
