N-(2-AMINO-4-CHLOROPHENYL)ANTHRANILIC ACID(67990-66-3) MS

Product NameN-(2-AMINO-4-CHLOROPHENYL)ANTHRANILIC ACID

CAS 67990-66-3

Molecular FormulaC13H11ClN2O2

Molecular Weight262.69

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Mass

MS-IW-0741          
o-(2-amino-4-chlorophenylamino)benzoic acid
C13H11ClN2O2        (Mass of molecular ion:    262)

   Source Temperature: 150 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       2.8
      28.0       1.1
      39.0       1.4
      50.0       1.1
      51.0       2.5
      52.0       1.4
      63.0       2.7
      64.0       1.2
      65.0       1.5
      75.0       1.0
      76.0       1.9
      76.5       2.4
      77.0       6.1
      78.0       2.6
      90.0       6.3
      90.5       3.2
      91.0       1.8
      99.0       1.6
     104.5       1.8
     105.0       1.1
     107.0       1.1
     107.5       1.0
     108.0       2.6
     114.0       1.8
     122.0       7.5
     122.5       1.2
     123.0       2.5
     126.0       1.1
     127.0       2.7
     128.0       2.0
     152.0       1.9
     153.0       2.3
     154.0       9.5
     155.0       1.7
     179.0       4.7
     180.0       3.5
     181.0      10.0
     182.0       5.7
     188.0       1.2
     203.0       1.6
     209.0     100.0
     210.0      16.0
     211.0       1.4
     214.0       1.1
     215.0       7.4
     216.0       4.7
     217.0       4.4
     218.0       3.8
     243.0       3.3
     244.0      92.3
     245.0      15.1
     246.0      30.6
     247.0       4.6
     262.0      87.4
     263.0      13.4
     264.0      29.2
     265.0       4.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₁ Cl N₂ O₂	0.040 g : 0.5 ml DMSO-d₆
o-(2-amino-4-chlorophenylamino)benzoic acid

    Assign.     Shift(ppm)

      A     *1     13.
      B     *1      8.99
      C             7.880
      D             7.303
      E             7.039
      F             6.845
      G             6.689
      J             6.58
      K             6.58
      L             5.2
     
     J(C,D)=1.7HZ
     J(C,G)=8.1HZ
     J(E,K)=8.3HZ
     J(F,K)=2.4HZ
     J(G,J)=1.1HZ
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   3593.95   8.993    516
   3154.62   7.894    441
   3152.91   7.890    481
   3146.50   7.874    485
   3145.00   7.870    484
   2927.69   7.326    218
   2925.98   7.322    223
   2920.42   7.308    280
   2919.14   7.305    419
   2917.43   7.300    273
   2912.09   7.287    265
   2910.38   7.283    254
   2817.85   7.051    806
   2814.22   7.042     35
   2809.52   7.030    882
   2737.08   6.849    982
   2734.73   6.843    999
   2681.52   6.710    286
   2680.45   6.707    291
   2673.40   6.690    514
   2666.56   6.673    277
   2665.50   6.670    272
   2635.15   6.594   1000
   2632.59   6.588    566
   2626.82   6.573    966
   2624.25   6.567    546
   2088.98   5.228     31

in DMSO-d6