108-97-4

吡喃-4-酮(108-97-4)红外图谱(IR2)

产品名称:吡喃-4-酮

CAS:108-97-4

分子式:C5H4O2

分子量: 96.08

InChI:InChI=1S/C5H4O2/c6-5-1-3-7-4-2-5/h1-4H

InChIKey: CVQUWLDCFXOXEN-UHFFFAOYSA-N

Smiles:C1OC=CC(=O)C=1

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

    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