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网站主页CAS数据库列表 23597-82-2更多图谱烟酸己酯(23597-82-2)红外图谱(IR2)

烟酸己酯

产品名称 烟酸己酯

CAS号23597-82-2

分子式C12H17NO2

分子量207.27

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  • Mass

    MS-NW-2155          
    hexyl nicotinate
    C12H17NO2           (Mass of molecular ion:    207)
    

       Source Temperature: 270 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       2.0
          27.0       7.6
          28.0       2.3
          29.0       8.2
          39.0       4.3
          41.0      15.2
          42.0      14.5
          43.0      20.0
          50.0       3.3
          51.0      16.1
          52.0       2.6
          53.0       1.3
          54.0       1.5
          55.0      17.2
          56.0      32.9
          57.0       3.1
          69.0      11.3
          70.0       1.1
          77.0       1.7
          78.0      34.0
          79.0       7.2
          80.0       1.1
          83.0       1.6
          84.0      11.6
          85.0       1.0
         105.0       6.0
         106.0      66.1
         107.0       5.6
         123.0      10.2
         124.0     100.0
         125.0       7.1
         137.0      14.6
         138.0       1.1
         150.0       5.3
         151.0       3.7
         164.0      16.2
         165.0       5.4
         178.0       2.8
         179.0       1.4
         206.0       5.3
         207.0       1.6
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C12 H17 N O2 0.05 ml : 0.5 ml CDCl3
    hexyl nicotinate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.243 B 8.780 C 8.304 D 7.400 E 4.359 F 1.783 G 1.451 J 1.35 K 0.909

         Hz     ppm     Int.
    

       3694.15   9.244    166
       3511.05   8.786    128
       3507.54   8.777    128
       3325.04   8.320    173
       3322.91   8.315    255
       3321.08   8.310    180
       3317.11   8.301    176
       3314.97   8.295    259
       3313.14   8.291    175
       2963.71   7.416    160
       2958.83   7.404    163
       2955.78   7.396    160
       2950.90   7.384    144
       1755.52   4.393     31
       1753.85   4.389     35
       1749.11   4.377    524
       1742.40   4.360   1000
       1735.69   4.344    500
        727.08   1.820    106
        720.21   1.803    273
        713.35   1.785    318
        705.26   1.765    283
        698.55   1.748    122
        595.86   1.491     51
        594.79   1.489     60
        587.92   1.472    156
        586.70   1.469    140
        585.02   1.464    133
        583.04   1.459    148
        580.29   1.452    193
        577.24   1.445    149
        575.26   1.440    134
        572.97   1.434    154
        572.05   1.432    150
        567.02   1.419     69
        565.95   1.417     84
        563.20   1.410     51
        559.08   1.399     47
        552.83   1.384     95
        548.25   1.372    209
        547.03   1.369    277
        543.06   1.359    394
        539.86   1.351    552
        536.04   1.342    501
        532.53   1.333    390
        529.17   1.325    143
        526.89   1.319     84
        525.67   1.316     70
        523.38   1.310     46
        519.41   1.300     35
        376.89   0.944     62
        375.82   0.941     65
        374.15   0.937     84
        372.47   0.932     95
        369.72   0.926    392
        367.13   0.919    220
        364.38   0.912    309
        362.85   0.908    971
        359.34   0.900    221
        357.67   0.895    191
        355.53   0.890    289
    

in CDCl3



CCl4 solution



liquid film