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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>4652-27-1更多圖譜> 4-甲氧基-3-丁烯-2-酮(4652-27-1)質(zhì)譜(MS)

4652-27-1

4-甲氧基-3-丁烯-2-酮(4652-27-1)質(zhì)譜(MS)

產(chǎn)品名稱:4-甲氧基-3-丁烯-2-酮

CAS:4652-27-1

分子式:C5H8O2

分子量: 100.12

InChI:InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3

InChIKey: VLLHEPHWWIDUSS-UHFFFAOYSA-N

Smiles:CC(=O)C=COC

  • 圖譜
    Mass 

    MS-NW-5462          
4-methoxy-3-buten-2-one
C5H8O2              (Mass of molecular ion:    100)


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


          14.0       2.4
      15.0      11.0
      26.0       3.5
      27.0      11.1
      28.0       2.6
      29.0       8.7
      31.0       8.3
      38.0       1.3
      39.0       3.2
      41.0       1.8
      42.0      10.3
      43.0      36.5
      44.0       1.1
      47.0       1.5
      53.0       4.5
      54.0       1.2
      55.0       1.5
      57.0       2.4
      58.0       1.4
      59.0       5.0
      69.0       2.6
      71.0       6.0
      75.0       6.3
      85.0     100.0
      86.0       4.8
     100.0      13.8
     101.0       2.4
     117.0       1.2

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C5 H8 O2 0.04 ml : 0.5 ml CDCl3
    4-methoxy-3-buten-2-one
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.574
      B             5.590
      C             3.713
      D             2.192
     
     J(A,B)=12.9HZ. J(A,C)=0.4HZ.
  

         Hz     ppm     Int.


        685.56   7.655     91
    685.19   7.651     92
    672.69   7.512    104
    672.31   7.507    105
    506.75   5.659    132
    493.94   5.516    115
    332.75   3.716    729
    196.38   2.193   1000
    195.31   2.181    151

in CDCl3

  • 圖譜

liquid film

  • 圖譜

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