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Isonicotinic acid

Product Name Isonicotinic acid

CAS55-22-1

MFC6H5NO2

MW123.11

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  • Mass 

    MS-NW-2303          
isonicotinic acid
C6H5NO2             (Mass of molecular ion:    123)


       Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV


          17.0       2.4
      18.0      11.8
      26.0       2.9
      27.0       1.4
      28.0       1.1
      37.0       1.9
      38.0       2.2
      39.0       6.2
      40.0       1.3
      44.0       2.7
      45.0       4.4
      49.0       3.2
      50.0      18.9
      51.0      37.7
      52.0      19.6
      53.0       3.1
      66.0       1.1
      67.0       1.5
      68.0       1.3
      75.0       1.5
      76.0       1.8
      77.0       4.6
      78.0      40.9
      79.0       5.1
      94.0       2.3
      95.0       1.2
     105.0       9.6
     106.0      34.8
     107.0       2.7
     123.0     100.0
     124.0       7.0

400 MHz in DMSO-d6

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C6 H5 N O2 saturated in DMSO-d6
    isonicotinic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            14.
      B             8.794
      C             7.829
  

         Hz     ppm     Int.


       3517.88   8.803    567
   3516.39   8.799    404
   3513.18   8.791    442
   3511.90   8.788    583
   3502.50   8.764     23
   3131.97   7.837   1000
   3130.47   7.834    577
   3127.69   7.827    608
   3125.98   7.822    995


  • 1H NMR 399.65 MHz
    C6 H5 N O2 saturated in CDCl3
    isonicotinic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            11.
      B             9.243
      C             8.581
     
     HSP-43-789 IN DMSO-D6
  

         Hz     ppm     Int.


       4214.11  10.545     43
   3703.26   9.267     36
   3702.71   9.265     38
   3697.40   9.252    857
   3690.99   9.236    919
   3685.68   9.223     62
   3685.13   9.221     52
   3684.58   9.220     50
   3684.21   9.219     43
   3683.66   9.218     38
   3683.11   9.216     33
   3682.56   9.215     33
   3437.49   8.602     38
   3436.94   8.600     45
   3432.91   8.590   1000
   3426.50   8.574    995
   3421.55   8.562     55
   3420.82   8.560     45
   3420.45   8.559     43
   3419.54   8.557     36

in DMSO-d6



KBr disc



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