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Back ChemicalBook Home>CAS DataBase List>2122-61-4More Spectrum> 4-Amino-3,5-diiodobenzoic acid(2122-61-4) IR2

4-Amino-3,5-diiodobenzoic acid(2122-61-4) IR2

Molecular FormulaC7H5I2NO2

Molecular Weight388.93

InChIInChI=1S/C7H5I2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)

InChIKey WXTVPMWCUMEVSZ-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC(I)=C(N)C(I)=C1


  • Mass

    MS-NW-7356          
    4-amino-3,5-diiodobenzoic acid
    C7H5I2NO2           (Mass of molecular ion:    389)
    

       Source Temperature: 190 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          18.0       1.0
          28.0       1.1
          37.0       2.7
          38.0       2.8
          39.0       2.8
          41.0       1.0
          45.0       1.5
          50.0       1.0
          51.0       2.2
          52.0       7.2
          53.0       1.5
          61.0       6.6
          62.0      12.0
          63.0      13.1
          64.0       4.8
          65.0       4.7
          74.0       1.7
          78.0       2.0
          79.0       5.2
          80.0       1.1
          87.0       1.1
          88.0       2.5
          89.0       8.8
          90.0      11.0
          91.0       2.5
         106.0       1.0
         107.0       6.0
         108.5       1.2
         117.0       3.3
         118.0       4.6
         127.0       4.3
         128.0       1.9
         135.0      13.5
         136.0       1.3
         180.5       4.5
         191.0       1.5
         194.5       1.0
         206.0       3.3
         216.0       2.6
         217.0       4.8
         234.0       4.4
         235.0       2.0
         244.0       2.5
         245.0       1.0
         261.0       1.5
         262.0       3.2
         263.0       2.1
         344.0       1.7
         345.0       1.2
         372.0      12.8
         373.0       1.0
         389.0     100.0
         390.0       8.1
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H5 I2 N O2 0.039 g : 0.5 ml DMSO-d6
    4-amino-3,5-diiodobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 8.143 C 5.77

         Hz     ppm     Int.
    

       3254.41   8.144   1000
       2304.37   5.766    320
    

in DMSO-d6



KBr disc



nujol mull



4-Amino-3,5-diiodobenzoic acid(2122-61-4) IR2 Atlas of Related Products

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