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Furfural

Product Name Furfural

CAS98-01-1

MFC5H4O2

MW96.08

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  • Mass 

    MS-NW-5533          
2-furaldehyde
C5H4O2              (Mass of molecular ion:     96)


       Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV


          14.0       1.2
      25.0       1.0
      26.0       1.7
      28.0       3.9
      29.0      14.3
      36.0       1.4
      37.0       8.5
      38.0      14.3
      39.0      56.2
      40.0       5.9
      41.0       1.4
      42.0       4.7
      49.0       1.3
      50.0       2.3
      51.0       2.5
      53.0       1.6
      66.0       1.0
      67.0       5.8
      68.0       1.5
      95.0      88.6
      96.0     100.0
      97.0       6.0

parameter in CDCl3

90 MHz in CDCl3

parameter in cyclohexane


  • 1H NMR 300 MHz
    C5 H4 O2 0.05 ml : 0.5 ml CDCl3
    2-furaldehyde
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         7.73
      D(B)         6.63
      D(C)         7.30
      D(D)         9.66
       J(A,B)          1.6
       J(A,C)          0.7
       J(A,D)          0.6
       J(B,C)          3.6
       J(B,D)          0.0
       J(C,D)          0.0
  

         Hz     ppm     Int.


       2898.24   9.661    999
   2897.79   9.659   1000
   2319.81   7.733    519
   2319.01   7.730    489
   2318.24   7.727    530
   2192.13   7.307    477
   2191.53   7.305    477
   2188.55   7.295    491
   2187.92   7.293    485
   1991.58   6.639    419
   1990.02   6.633    426
   1987.97   6.627    415
   1986.41   6.621    401


  • 1H NMR 89.56 MHz
    C5 H4 O2 0.05 ml : 0.5 ml CDCl3
    2-furaldehyde
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             9.666
      B             7.734
      C             7.299
      D             6.632
     
     J(C,D)=3.6HZ, J(B,D)=1.7HZ, J(B,C)=0.6HZ
  

         Hz     ppm     Int.


        865.75   9.667   1000
    858.81   9.590     24
    693.13   7.740    628
    692.31   7.731    618
    691.50   7.722    565
    686.56   7.666     32
    686.25   7.663     32
    684.31   7.641     23
    661.69   7.389     31
    655.94   7.325    516
    655.31   7.317    487
    652.31   7.284    556
    647.94   7.235     34
    596.56   6.662    443
    594.88   6.643    440
    593.00   6.622    409
    591.31   6.603    366


  • 1H NMR 300 MHz
    C5 H4 O2 5 % in cyclohexane
    2-furaldehyde
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         7.49
      D(B)         6.42
      D(C)         7.03
      D(D)         9.63
       J(A,B)          1.70
       J(A,C)          0.80
       J(A,D)          0.45
       J(B,C)          3.55
       J(B,D)          0.45
       J(C,D)          0.0
     
     GRONOWITZ,S. ET AL. ARK.KEMI 19, 483 (1962)
  

         Hz     ppm     Int.


       2888.99   9.630   1000
   2247.73   7.492    426
   2247.25   7.491    417
   2246.77   7.489    418
   2246.29   7.488    428
   2111.20   7.037    419
   2110.42   7.035    420
   2107.63   7.025    443
   2106.91   7.023    436
   1928.51   6.428    293
   1927.01   6.423    301
   1924.97   6.417    294
   1923.50   6.412    281

in CDCl3



CCl4 solution



liquid film



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