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108-05-4

乙酸乙烯酯(108-05-4)質(zhì)譜(MS)

產(chǎn)品名稱:乙酸乙烯酯

CAS:108-05-4

分子式:C4H6O2

分子量: 86.09

InChI:InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3

InChIKey: XTXRWKRVRITETP-UHFFFAOYSA-N

Smiles:C(OC=C)(=O)C

  • 圖譜
    Mass 

    MS-NW-5546          
vinyl acetate
C4H6O2              (Mass of molecular ion:     86)


       Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV


          14.0       2.5
      15.0      11.1
      26.0       2.0
      27.0       6.8
      28.0       1.2
      29.0       2.0
      42.0       6.4
      43.0     100.0
      44.0       4.9
      86.0       6.6

parameter in CDCl3

  • 圖譜

    1H NMR 300 MHz
    C4 H6 O2 20 wt% in CDCl3
    vinyl acetate
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         4.56
      D(B)         4.88
      D(C)         7.28
       J(A,B)         -1.57
       J(A,C)          6.33
       J(B,C)         14.12
     
      D(D)         2.13
     
     BRUEGEL,W. HANDBOOK OF NMR SPECTRAL PARAMETERS 40.2.3.1
  

         Hz     ppm     Int.


       2194.29   7.314     81
   2188.01   7.293     83
   2180.19   7.267     85
   2173.92   7.246     86
   1471.80   4.906     88
   1470.25   4.901     91
   1457.65   4.859     85
   1456.15   4.854     88
   1371.91   4.573     91
   1370.41   4.568     88
   1365.58   4.552     90
   1364.09   4.547     87
    638.99   2.130   1000

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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