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Back ChemicalBook Home>CAS DataBase List>89-00-9More Spectrum> Quinolinic acid(89-00-9) IR2

Quinolinic acid(89-00-9) IR2

Product NameQuinolinic acid

CAS89-00-9

Molecular FormulaC7H5NO4

Molecular Weight167.12

InChIInChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)

InChIKey GJAWHXHKYYXBSV-UHFFFAOYSA-N

SmilesC1(C(O)=O)=NC=CC=C1C(O)=O


  • Mass

    MS-NW-1795          
    2,3-pyridinedicarboxylic acid
    C7H5NO4             (Mass of molecular ion:    167)
    

       Source Temperature: 220 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          12.0       1.3
          16.0       1.6
          18.0       1.6
          25.0       1.2
          26.0       6.9
          27.0       3.8
          28.0       8.0
          29.0       1.9
          37.0       4.5
          38.0       5.3
          38.5       1.2
          39.0      11.4
          40.0       2.1
          41.0       1.6
          44.0      27.9
          45.0       9.7
          48.0       1.1
          49.0       7.4
          50.0      27.5
          51.0      33.6
          52.0      26.8
          53.0       5.3
          66.0       4.2
          67.0       3.8
          68.0       1.2
          75.0       4.8
          76.0       7.8
          77.0      34.6
          78.0      36.0
          79.0      42.0
          80.0       2.5
          94.0       5.3
          95.0       1.6
         105.0      47.9
         106.0      20.2
         107.0       1.4
         122.0       1.0
         123.0     100.0
         124.0       7.5
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H5 N O4 0.042 g : 0.5 ml DMSO-d6
    2,3-pyridinedicarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 14. B 8.762 C 8.268 D 7.640

         Hz     ppm     Int.
    

       3505.37   8.772    831
       3503.66   8.767    991
       3500.49   8.759   1000
       3498.78   8.755    964
       3494.63   8.745     25
       3309.57   8.282    922
       3307.86   8.277    885
       3304.69   8.269     60
       3301.76   8.262    968
       3300.05   8.258    973
       3059.81   7.657    939
       3054.93   7.645    827
       3052.00   7.637    853
       3047.12   7.625    919
    

KBr disc



nujol mull





UV IRRAD. OF NA SALT IN H2O RICH MIXED SOLV.



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