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108-22-5

乙酸異丙烯酯(108-22-5)質(zhì)譜(MS)

產(chǎn)品名稱:乙酸異丙烯酯

CAS:108-22-5

分子式:C5H8O2

分子量: 100.12

InChI:InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3

InChIKey: HETCEOQFVDFGSY-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-4198          
isopropenyl acetate
C5H8O2              (Mass of molecular ion:    100)


       Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          14.0       1.5
      15.0       6.8
      27.0       2.7
      29.0       1.5
      38.0       1.0
      39.0       5.7
      40.0       1.2
      41.0       7.9
      42.0       3.9
      43.0     100.0
      44.0       2.2
      57.0       2.5
      58.0      16.3
      72.0       7.1
     100.0       5.1

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C5 H8 O2 10.0 mol% in CDCl3
    isopropenyl acetate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             1.923
      B             2.122
      C          4.66 to 4.73
  

         Hz     ppm     Int.


        421.88   4.711     52
    420.56   4.696    109
    419.44   4.684    220
    418.81   4.677    151
    418.13   4.669     90
    417.50   4.662     35
    190.00   2.122   1000
    172.94   1.931    311
    172.31   1.924    307
    171.81   1.919    332
    171.19   1.912    273

in CDCl3

  • 圖譜

liquid film

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