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4H-PYRAN-4-ONE

Product Name 4H-PYRAN-4-ONE

CAS108-97-4

MFC5H4O2

MW96.08

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  • Mass 

    MS2016-05312CW      
4-pyrone
C5H4O2              (Mass of molecular ion:     96)


       Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV


          13.0       1.3
      14.0       6.1
      25.0       1.9
      26.0       6.8
      27.0       1.2
      29.0       5.7
      37.0       3.6
      38.0       3.9
      39.0       9.7
      40.0       5.9
      41.0       9.9
      42.0      31.7
      43.0       1.7
      44.0       2.1
      45.0       1.9
      46.0       2.1
      49.0       1.8
      50.0       2.6
      53.0       5.9
      54.0       1.5
      68.0      28.2
      69.0      50.9
      70.0      37.5
      71.0       2.1
      96.0     100.0
      97.0       7.7

in CDCl3

parameter in CDCl3




  • 1H NMR 300 MHz
    C5 H4 O2 ca 20 wt% in CDCl3
    4-pyrone
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         7.885
      D(B)         6.375
       J(A,A')         2.68
       J(A,B)          5.96
       J(A,B')         0.33
       J(A',B)         0.33
       J(A',B')        5.96
       J(B,B')         1.05
     
     BROWN,N.M.D. & BLADON,P. SPECTROCHIM.ACTA 21, 1277 (1965)
  

         Hz     ppm     Int.


       2370.73   7.902    145
   2368.67   7.896    974
   2367.62   7.892    497
   2367.11   7.890    489
   2363.94   7.880    496
   2363.43   7.878    506
   2362.38   7.875    999
   2360.32   7.868    150
   1917.69   6.392    150
   1915.64   6.385   1000
   1914.60   6.382    504
   1914.04   6.380    492
   1910.91   6.370    488
   1910.40   6.368    496
   1909.33   6.364    974
   1907.29   6.358    145

in CDCl3



KBr disc



liquid film





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