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2-苯丙基丁酸酯

产品名称 2-苯丙基丁酸酯

CAS号80866-83-7

分子式C13H18O2

分子量206.28

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  • Mass

    MS-NW-5576          
    2-phenylpropyl butyrate
    C13H18O2            (Mass of molecular ion:    206)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       5.8
          28.0       1.2
          39.0       4.1
          41.0       8.6
          42.0       1.2
          43.0      37.3
          44.0       1.2
          51.0       3.1
          65.0       1.7
          71.0      65.0
          72.0       3.0
          77.0       6.3
          78.0       4.0
          79.0       4.3
          91.0      11.9
          92.0       1.0
         103.0       4.9
         104.0       3.8
         105.0      29.9
         106.0       3.0
         115.0       1.3
         117.0       7.0
         118.0     100.0
         119.0      11.8
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C13 H18 O2 0.04 ml : 0.5 ml CDCl3
    2-phenylpropyl butyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.30 to 7.18 B *1 4.20 C *1 4.12 D 3.085 E 2.226 F 1.59 G 1.295 J 0.895 J(B,C) = 10.8 HZ, J(B,D) = J(C,D) = 7.1 HZ, J(D,G) = 7.0 HZ

         Hz     ppm     Int.
    

        656.63   7.332     35
        655.00   7.314     47
        653.38   7.296    135
        651.25   7.272    174
        649.50   7.253    901
        648.56   7.242    900
        646.56   7.220    166
        645.63   7.209    107
        645.13   7.204    106
        643.19   7.182     66
        642.69   7.177     65
        641.06   7.158     60
        381.50   4.260     34
        377.88   4.220    271
        375.63   4.195    270
        370.75   4.140    310
        368.69   4.117    306
        357.94   3.997     34
        287.13   3.207     59
        279.94   3.126    116
        273.00   3.049    114
        266.06   2.971     61
        208.19   2.325    118
        207.19   2.314    122
        200.13   2.235    280
        193.50   2.161    219
        192.81   2.153    209
        160.94   1.798     37
        154.38   1.724     65
        153.44   1.714     89
        150.44   1.680     44
        146.50   1.636    183
        145.50   1.625    101
        139.50   1.558    133
        138.75   1.550    125
        138.31   1.545    153
        133.00   1.486     45
        131.63   1.470    109
        124.81   1.394     37
        119.38   1.333   1000
        112.38   1.255    901
         86.38   0.965    342
         79.50   0.888    730
         78.88   0.881    376
         72.63   0.811    117
         71.81   0.802    200
         70.81   0.791     91
    

in CDCl3



liquid film



4880 A,200 M,liquid