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108-22-5

乙酸异丙烯酯(108-22-5)核磁图(1HNMR)

产品名称:乙酸异丙烯酯

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

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    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

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    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

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liquid film

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