91-40-7

N-苯基鄰氨基苯甲酸(91-40-7)核磁圖(¹³CNMR)

產品名稱:N-苯基鄰氨基苯甲酸

CAS:91-40-7

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

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

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

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