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苯基氰基乙酸乙酯

产品名称 苯基氰基乙酸乙酯

CAS号4553-07-5

分子式C11H11NO2

分子量189.21

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  • Mass

    MS-IW-0076          
    ethyl 2-cyano-2-phenylacetate
    C11H11NO2           (Mass of molecular ion:    189)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       3.4
          29.0      22.6
          39.0       3.2
          50.0       1.4
          51.0       1.9
          62.0       1.6
          63.0       4.7
          64.0       1.4
          65.0       1.2
          77.0       1.3
          88.0       1.7
          89.0      13.4
          90.0      15.9
          91.0       1.7
         105.0       1.2
         114.0       1.3
         115.0       3.4
         116.0      43.4
         117.0     100.0
         118.0       9.5
         130.0       1.2
         143.0       1.7
         144.0       1.7
         145.0       7.9
         189.0       2.1
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C11 H11 N O2 0.05 ml : 0.5 ml CDCl3
    ethyl 2-cyano-2-phenylacetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.45 B 7.41 to 7.37 C 4.745 D *1 4.21 E *1 4.20 F 1.236

         Hz     ppm     Int.
    

       2983.15   7.465    138
       2980.96   7.459    135
       2979.00   7.455     87
       2977.42   7.451    121
       2976.68   7.449    116
       2975.22   7.445    267
       2973.39   7.440    291
       2970.58   7.433     52
       2964.48   7.418     67
       2962.89   7.414     44
       2960.69   7.409    104
       2958.86   7.404     90
       2956.18   7.397    256
       2955.32   7.395    299
       2953.61   7.391    151
       2952.03   7.387    172
       2949.46   7.381    393
       2948.12   7.377    404
       2944.95   7.369    108
       2942.99   7.364     69
       1896.36   4.746    505
       1696.78   4.246     33
       1693.12   4.237     84
       1690.43   4.230     93
       1685.91   4.219    247
       1683.35   4.213    255
       1678.83   4.201    259
       1676.15   4.195    260
       1671.63   4.183     98
       1669.07   4.177     91
       1665.41   4.168     36
        501.34   1.255    546
        494.26   1.237   1000
        487.06   1.219    569
    

in CDCl3



liquid film