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Back ChemicalBook Home>CAS DataBase List>591-87-7More Spectrum> Allyl acetate(591-87-7) 13C NMR

591-87-7

Allyl acetate(591-87-7) 13C NMR

Product NameAllyl acetate

CAS591-87-7

Molecular FormulaC5H8O2

Molecular Weight100.12

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

InChIKey FWZUNOYOVVKUNF-UHFFFAOYSA-N

SmilesC(OCC=C)(=O)C

  • Allyl acetate(591-87-7) <sup>13</sup>C NMR
    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

  • Allyl acetate(591-87-7) <sup>13</sup>C NMR

    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

  • Allyl acetate(591-87-7) <sup>13</sup>C NMR

CCl4 solution

  • Allyl acetate(591-87-7) <sup>13</sup>C NMR

liquid film

  • Allyl acetate(591-87-7) <sup>13</sup>C NMR

4880 A,200 M,liquid

  • Allyl acetate(591-87-7) <sup>13</sup>C NMR

Allyl acetate(591-87-7) 13C NMR Atlas of Related Products

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