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591-87-7

乙酸烯丙酯(591-87-7)质谱(MS)

产品名称:乙酸烯丙酯

CAS:591-87-7

分子式:C5H8O2

分子量: 100.12

InChI:InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3

InChIKey: FWZUNOYOVVKUNF-UHFFFAOYSA-N

Smiles:C(OCC=C)(=O)C

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    Mass

    MS-NW-0754          
    allyl acetate
    C5H8O2              (Mass of molecular ion:    100)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       5.1
          26.0       1.3
          27.0       2.9
          28.0       1.2
          29.0       1.1
          31.0       1.1
          38.0       1.4
          39.0      10.7
          40.0       2.8
          41.0      11.6
          43.0     100.0
          44.0       2.3
          57.0       1.7
          58.0      12.5
          61.0       3.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H8 O2 10.2 mol% in CDCl3
    allyl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.901 B 5.32 C 5.23 D 4.569 E 2.078

         Hz     ppm     Int.
    

        535.56   5.980     31
        528.31   5.899     39
        524.00   5.851     34
        522.88   5.839     30
        518.31   5.788     52
        513.00   5.729     38
        485.94   5.426     30
        484.44   5.410     61
        484.06   5.405     58
        482.69   5.390     87
        481.25   5.374     45
        475.31   5.308     42
        474.13   5.294     76
        472.94   5.281     52
        472.31   5.274     53
        467.19   5.217     48
        465.44   5.197     59
        464.13   5.183     64
        462.88   5.169     38
        462.31   5.163     49
        413.31   4.615     92
        412.06   4.601    144
        410.75   4.587     89
        407.75   4.553     86
        406.50   4.539    138
        405.13   4.524     80
        186.25   2.080   1000
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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