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Back ChemicalBook Home>CAS DataBase List>5326-47-6More Spectrum> 2-Amino-5-iodobenzoic acid(5326-47-6) MS

2-Amino-5-iodobenzoic acid(5326-47-6) MS

Molecular FormulaC7H6INO2

Molecular Weight263.03

InChIInChI=1S/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)

InChIKey GOLGILSVWFKZRQ-UHFFFAOYSA-N

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


  • Mass

    MS-NW-0302          
    5-iodoanthranilic acid
    C7H6INO2            (Mass of molecular ion:    263)
    

       Source Temperature: 150 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          28.0       1.0
          37.0       1.1
          38.0       1.9
          39.0       2.5
          41.0       1.6
          52.0       4.3
          53.0       1.3
          61.0       1.7
          62.0       3.6
          63.0      10.7
          64.0       3.7
          65.0       2.8
          75.0       1.3
          80.0       2.6
          89.0       1.8
          90.0      11.3
          91.0       7.3
          92.0       1.2
         108.0       1.7
         108.5       5.0
         109.0       1.5
         122.5       5.5
         127.0       2.0
         131.5       2.4
         136.0       2.1
         217.0      14.1
         218.0       9.4
         245.0      56.7
         246.0       5.5
         263.0     100.0
         264.0       8.3
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H6 I N O2 0.039 g : 0.5 ml DMSO-d6
    5-iodoanthranilic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.947 B 7.470 C 6.631

         Hz     ppm     Int.
    

       3177.49   7.951   1000
       3175.20   7.945    977
       2991.18   7.485    498
       2988.89   7.479    480
       2982.33   7.463    524
       2980.19   7.458    504
       2654.57   6.643    867
       2645.72   6.621    827
    


  • 1H NMR 89.56 MHz
    C7 H6 I N O2 0.037 g : 0.5 ml DMSO-d6
    5-iodoanthranilic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.940 B 7.460 C 7.4 D 6.628

         Hz     ppm     Int.
    

        712.22   7.953    892
        710.08   7.929   1000
        674.02   7.526    551
        671.80   7.502    497
        665.31   7.429    647
        663.00   7.403    620
        654.20   7.305     89
        618.31   6.904     41
        617.80   6.899     39
        617.46   6.895     42
        597.46   6.672    875
        588.75   6.574    703
    

in DMSO-d6



KBr disc



nujol mull





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