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Back ChemicalBook Home>CAS DataBase List>101-29-1More Spectrum> 3,5-DIIODO-4-PYRIDONE-1-ACETIC ACID(101-29-1) IR1

3,5-DIIODO-4-PYRIDONE-1-ACETIC ACID(101-29-1) IR1

Molecular FormulaC7H5I2NO3

Molecular Weight404.93

InChIInChI=1S/C7H5I2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)

InChIKey PVBALTLWZVEAIO-UHFFFAOYSA-N

SmilesC1N(CC(O)=O)C=C(I)C(=O)C=1I


  • Mass

    MS-NW-6489          
    3,5-diiodo-4-oxo-1,4-dihydro-1-pyridineacetic acid
    C7H5I2NO3           (Mass of molecular ion:    405)
    

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

          17.0       1.5
          18.0       7.2
          26.0       1.7
          27.0       2.2
          28.0       5.0
          29.0       1.6
          30.0       1.2
          31.0       3.1
          37.0       4.3
          38.0       3.7
          39.0       2.4
          40.0       1.0
          41.0       1.7
          42.0       2.1
          44.0      20.4
          45.0       2.1
          49.0       1.2
          50.0       5.8
          51.0      10.7
          52.0       7.3
          53.0      17.3
          54.0       1.5
          58.0       2.2
          59.0       2.2
          63.5       3.5
          64.0       1.8
          65.0       3.9
          66.0       4.5
          67.0       3.5
          68.0       1.0
          76.0       1.0
          77.0       1.1
          78.0       8.0
          79.0       6.8
          80.0       1.9
          82.0       1.4
          86.0       1.2
          92.0       3.2
          93.0       3.4
          94.0       1.7
          95.0       2.8
         106.0       4.5
         107.0       2.4
         108.0       2.9
         123.0       2.5
         127.0      30.6
         128.0      22.5
         151.0       3.0
         152.0       2.6
         153.0       2.4
         164.0       1.2
         165.0       2.4
         177.0       1.0
         178.0       5.0
         180.0       1.5
         193.0       1.7
         202.5       1.0
         204.0       1.3
         205.0       5.3
         206.0       1.4
         208.0       2.6
         219.0       2.2
         220.0       3.4
         221.0       2.3
         232.0       4.0
         233.0       5.0
         234.0       4.2
         235.0       1.2
         254.0       5.4
         278.0      25.4
         279.0      10.5
         280.0       1.0
         332.0       4.0
         347.0      12.1
         360.0      13.6
         361.0       5.8
         377.0       3.3
         405.0     100.0
         406.0       8.4
         407.0       1.0
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H5 I2 N O3 0.036 g : 0.5 ml DMSO-d6
    3,5-diiodo-4-oxo-1,4-dihydro-1-pyridineacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.5 B 8.387 C 4.774

         Hz     ppm     Int.
    

       3352.28   8.389   1000
       1908.20   4.775    571
    

in DMSO-d6



KBr disc



nujol mull



3,5-DIIODO-4-PYRIDONE-1-ACETIC ACID(101-29-1) IR1 Atlas of Related Products

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