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2-氧-1-环己烷丙腈

产品名称 2-氧-1-环己烷丙腈

CAS号4594-78-9

分子式C9H13NO

分子量151.21

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  • Mass

    MS-NW-7605          
    3-(2-oxocyclohexyl)propionitrile
    C9H13NO             (Mass of molecular ion:    151)
    

       Source Temperature: 250 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       1.7
          18.0       2.9
          26.0       5.7
          27.0      23.5
          28.0       6.3
          29.0       9.9
          37.0       1.1
          38.0       3.0
          39.0      27.7
          40.0       8.6
          41.0      60.6
          42.0      19.0
          43.0       4.5
          50.0       2.4
          51.0       5.5
          52.0       6.0
          53.0      16.1
          54.0      12.9
          55.0     100.0
          56.0       6.9
          57.0       1.8
          63.0       1.3
          64.0       1.1
          65.0       3.2
          66.0       2.8
          67.0      36.1
          68.0       8.3
          69.0       9.5
          70.0      13.6
          71.0       1.1
          77.0       2.8
          78.0       1.4
          79.0       5.0
          80.0      13.5
          81.0       8.4
          82.0      14.6
          83.0      18.6
          84.0      34.8
          85.0       2.6
          91.0       2.6
          92.0       1.5
          93.0       3.4
          94.0      12.9
          95.0      11.7
          96.0       4.5
          97.0       6.0
          98.0      78.1
          99.0       5.4
         106.0       2.5
         107.0      11.6
         108.0      17.7
         109.0       2.9
         110.0       3.2
         111.0       7.8
         122.0      13.3
         123.0       4.1
         150.0       1.3
         151.0       8.3
         152.0       1.1
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C9 H13 N O 0.05 ml : 0.5 ml CDCl3
    3-(2-oxocyclohexyl)propionitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.49 B *1 2.469 C *1 2.37 D 2.14 E 2.08 F 1.902 G 1.743 J 1.663 K 1.531 L 1.407 ASSIGNED BY H-H COSY.

         Hz     ppm     Int.
    

        994.26   2.488    746
        987.43   2.471    948
        986.57   2.469   1000
        979.74   2.452    799
        956.79   2.395    246
        955.69   2.392    290
        954.71   2.389    322
        952.76   2.384    310
        950.44   2.379    361
        949.46   2.376    355
        947.75   2.372    228
        944.09   2.363    172
        943.12   2.360    193
        938.35   2.348    175
        937.50   2.346    175
        868.77   2.174    124
        866.09   2.168    150
        862.92   2.160    157
        859.62   2.151    168
        856.45   2.144    232
        853.39   2.136    266
        849.12   2.125    292
        847.29   2.121    223
        843.99   2.112    182
        842.16   2.108    296
        840.94   2.105    252
        838.01   2.097    151
        835.21   2.090    274
        834.11   2.088    262
        828.25   2.073    230
        827.15   2.070    220
        821.41   2.056    124
        820.19   2.053    203
        767.94   1.922    124
        758.30   1.898    132
        755.74   1.892    175
        754.52   1.888    187
        753.17   1.885    131
        704.22   1.763    118
        700.56   1.753    196
        687.99   1.722    198
        684.69   1.714    124
        677.73   1.696    144
        676.15   1.692    149
        675.29   1.690    154
        667.85   1.672    133
        664.55   1.663    121
        663.21   1.660    119
        620.85   1.554    201
        615.97   1.542    201
        614.75   1.539    145
        613.28   1.535    132
        608.40   1.523    131
        607.06   1.519    198
        602.17   1.507    173
        569.21   1.425    178
        565.55   1.416    203
        556.52   1.393    153
        552.73   1.384    170
    

in CDCl3



liquid film