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Back ChemicalBook Home>CAS DataBase List>118-92-3More Spectrum> Anthranilic acid(118-92-3) ESR

Anthranilic acid(118-92-3) ESR

Product NameAnthranilic acid

CAS118-92-3

Molecular FormulaC7H7NO2

Molecular Weight137.14

InChIInChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)

InChIKey RWZYAGGXGHYGMB-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC=CC=C1N


  • Mass

    MS2017-05454CM      
    anthranilic acid
    C7H7NO2             (Mass of molecular ion:    137)
    

       Source Temperature: 245 °C
       Sample Temperature:  20 °C
       Direct, 70 eV
    

          28.0       1.5
          37.0       1.6
          38.0       3.7
          39.0       6.6
          40.0       1.2
          41.0       2.0
          45.0       4.4
          45.5       1.6
          46.0       1.0
          50.0       2.3
          51.0       1.8
          52.0       5.9
          53.0       2.0
          54.0       1.1
          59.5       1.4
          60.0       1.1
          61.0       1.8
          62.0       3.3
          63.0       8.7
          64.0      10.4
          65.0      16.6
          66.0       3.0
          74.0       1.1
          76.0       1.6
          90.0       2.7
          91.0      13.2
          92.0      51.0
          93.0       4.3
         119.0     100.0
         120.0      10.7
         137.0      69.8
         138.0       5.7
    

90 MHz in DMSO-d6

in DMSO-d6


  • 1H NMR 89.56 MHz
    C7 H7 N O2 0.042 g : 0.5 ml DMSO-d6
    anthranilic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.4 B 7.72 C 7.23 D 6.761 E 6.524 F 3.6 J(B,C)=1.6HZ. J(B,E)=8.0HZ. J(C,D)=8.3HZ. J(D,E)=1.3HZ.

         Hz     ppm     Int.
    

        696.39   7.776    674
        696.00   7.772    662
        694.73   7.758    778
        688.38   7.687    789
        687.99   7.682    784
        686.72   7.668    848
        656.54   7.331    402
        654.79   7.312    393
        649.61   7.254    558
        648.14   7.237    791
        646.48   7.219    562
        641.21   7.160    722
        639.55   7.142    627
        609.18   6.802    917
        608.40   6.794   1000
        600.88   6.710    677
        600.00   6.700    618
        591.60   6.606    686
        590.33   6.592    540
        584.67   6.529    676
        583.59   6.517    926
        582.42   6.504    518
        576.76   6.440    489
        575.49   6.426    405
    



in DMSO-d6



CCl4 solution







OXIDATION WITH PERBENZOIC ACID IN DIOXANE

OXIDATION WITH PBA IN ETHANOL





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