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446-08-2

2-氨基-5-氟苯甲酸(446-08-2)质谱(MS)

分子式:C7H6FNO2

分子量: 155.13

InChI:InChI=1S/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)

InChIKey: FPQMGQZTBWIHDN-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC(F)=CC=C1N

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    Mass

    MS-KW-0563          
    5-fluoroanthranilic Acid 
    C7H6FNO2            (Mass of molecular ion:    155)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       1.5
          28.0       3.5
          31.0       2.4
          37.0       1.0
          38.0       1.6
          39.0       2.1
          45.0       1.6
          50.0       1.4
          51.0       2.1
          52.0       3.8
          53.0       1.1
          54.5       6.3
          55.0       4.6
          56.0       2.5
          57.0       8.5
          61.0       1.9
          62.0       3.1
          63.0       6.5
          64.0       1.7
          65.0       1.3
          68.0       1.0
          68.5       2.3
          69.0       2.0
          77.5       1.2
          81.0       6.1
          82.0      25.2
          83.0      16.5
          84.0       3.0
          89.0       3.4
          90.0       3.1
          94.0       1.8
         108.0       3.7
         109.0      53.8
         110.0      40.8
         111.0       3.8
         137.0     100.0
         138.0      11.0
         155.0      67.4
         156.0       5.6
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C7H6FNO2 0.040 g : 0.5 ml DMSO-d6
    5-fluoroanthranilic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.6 B 7.420 C 7.164 D 6.796

         Hz     ppm     Int.
    

       3476.87   8.697     36
       3452.61   8.637     40
       3440.25   8.606     41
       3414.01   8.540     42
       3403.63   8.514     41
       3388.52   8.476     41
       2972.57   7.436    866
       2969.52   7.428    909
       2962.65   7.411    884
       2959.60   7.404    870
       2874.30   7.190    597
       2871.10   7.182    553
       2866.22   7.170    765
       2865.30   7.168    823
       2863.01   7.162    692
       2862.10   7.160    741
       2857.21   7.147    682
       2854.01   7.139    588
       2723.39   6.813    962
       2718.51   6.800   1000
       2714.24   6.790    869
       2709.36   6.778    821
    

in DMSO-d6

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KBr disk

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Nujol

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