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103-28-6

异丁酸苄酯(103-28-6)核磁图(13CNMR)

产品名称:异丁酸苄酯

CAS:103-28-6

分子式:C11H14O2

分子量: 178.23

InChI:InChI=1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChIKey: UIKJRDSCEYGECG-UHFFFAOYSA-N

Smiles:C(OCC1=CC=CC=C1)(=O)C(C)C

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    Mass

    MS-NW-6368          
    benzyl isobutyrate
    C11H14O2            (Mass of molecular ion:    178)
    

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

          18.0       1.3
          27.0       5.3
          28.0       1.8
          39.0       6.9
          41.0       7.3
          42.0       1.5
          43.0      32.6
          44.0       1.4
          50.0       1.6
          51.0       4.4
          52.0       1.2
          63.0       2.4
          65.0       9.4
          70.0       1.0
          71.0      17.2
          77.0       5.9
          78.0       1.3
          79.0       6.0
          89.0       3.7
          90.0       8.5
          91.0     100.0
          92.0       8.2
         105.0       1.9
         107.0       5.0
         108.0      34.2
         109.0       2.7
         178.0      21.1
         179.0       2.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C11 H14 O2 0.05 ml : 0.5 ml CDCl3
    benzyl isobutyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.32 B 7.28 C 5.096 D 2.579 E 1.173

         Hz     ppm     Int.
    

       2933.59   7.341     75
       2931.52   7.336    334
       2930.54   7.333    287
       2928.83   7.329    148
       2926.88   7.324    706
       2924.32   7.318     79
       2921.75   7.311     81
       2919.68   7.306     30
       2917.85   7.302    104
       2914.92   7.294     78
       2913.70   7.291     63
       2913.09   7.290     76
       2910.52   7.283     39
       2909.18   7.280     68
       2906.74   7.274     34
       2904.05   7.267     40
       2036.87   5.097    606
       1045.17   2.616     47
       1038.09   2.598    116
       1031.13   2.581    155
       1024.17   2.563    120
       1017.09   2.545     52
        472.66   1.183   1000
        470.09   1.177     65
        465.70   1.166    968
        463.13   1.159     95
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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