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2-苯丙基异丁酸酯

产品名称 2-苯丙基异丁酸酯

CAS号65813-53-8

分子式C13H18O2

分子量206.28

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  • Mass

    MS-NW-5685          
    2-phenylpropyl isobutyrate
    C13H18O2            (Mass of molecular ion:    206)
    

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

          27.0       4.7
          28.0       1.2
          39.0       3.7
          41.0       8.5
          42.0       1.4
          43.0      51.4
          44.0       1.5
          51.0       3.3
          63.0       1.1
          65.0       1.6
          70.0       1.0
          71.0      47.4
          72.0       2.3
          77.0       6.6
          78.0       4.1
          79.0       4.3
          91.0      13.1
          92.0       1.3
         103.0       5.2
         104.0       4.5
         105.0      27.9
         106.0       3.1
         115.0       1.4
         117.0       7.1
         118.0     100.0
         119.0      11.5
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C13 H18 O2 0.04 ml : 0.5 ml CDCl3
    2-phenylpropyl isobutyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.45 to 7.06 B *1 4.184 C *1 4.135 D 3.100 E 2.476 F 1.298 G *2 1.105 J *2 1.092 J(B,C)=-10.7HZ. J(B,D)=7.2HZ. J(C,D)=7.0HZ. J(D,F)=7.0HZ. J(E,G)=7.0HZ. J(E,J)=7.0HZ.

         Hz     ppm     Int.
    

        656.69   7.333     33
        655.13   7.315     43
        653.31   7.295    134
        651.38   7.274    147
        649.50   7.253    896
        648.56   7.242    954
        646.63   7.221    195
        645.75   7.211    133
        645.25   7.205    128
        643.38   7.184     75
        642.81   7.178     76
        641.19   7.160     67
        388.13   4.334     33
        380.94   4.254     45
        377.38   4.214    302
        374.94   4.187    296
        370.19   4.134    347
        368.00   4.109    340
        364.19   4.067     35
        357.19   3.989     42
        288.00   3.216     57
        280.94   3.137    111
        273.88   3.059    109
        267.00   2.982     56
        237.06   2.647     37
        230.00   2.569     80
        222.94   2.490    115
        215.94   2.412     96
        209.13   2.336     55
        119.69   1.337    977
        112.69   1.259    886
        102.25   1.142    929
        100.88   1.127   1000
         95.25   1.064    832
         93.94   1.049    866
    

in CDCl3



liquid film



4880 A,200 M,liquid