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网站主页CAS数据库列表 5461-08-5更多图谱异丁酸胡椒酯(5461-08-5)质谱(MS)

异丁酸胡椒酯

产品名称 异丁酸胡椒酯

CAS号5461-08-5

分子式C12H14O4

分子量222.24


  • Mass

    MS-NW-7395          
    piperonyl isobutyrate
    C12H14O4            (Mass of molecular ion:    222)
    

       Source Temperature: 210 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       3.9
          28.0       1.2
          39.0       4.3
          41.0       5.0
          43.0      16.8
          50.0       2.3
          51.0       9.6
          52.0       1.0
          53.0       1.1
          63.0       2.5
          65.0       5.2
          67.0       2.1
          71.0       4.1
          73.0       1.2
          76.0       3.7
          77.0      12.8
          78.0       2.0
          79.0       2.2
          93.0       4.6
         104.0       2.9
         105.0       5.4
         121.0       1.5
         122.0       2.5
         123.0       2.4
         134.0      13.4
         135.0     100.0
         136.0       9.4
         149.0       2.0
         150.0       2.0
         151.0       2.3
         152.0      25.7
         153.0       2.5
         222.0      28.3
         223.0       4.0
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C12 H14 O4 0.05 ml : 0.5 ml CDCl3
    piperonyl isobutyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.9 to 6.74 B 5.914 C 4.990 D 2.543 E 1.165

         Hz     ppm     Int.
    

        614.81   6.865     38
        611.88   6.833    133
        611.50   6.828    130
        610.44   6.816    206
        610.13   6.813    206
        608.06   6.790    250
        606.69   6.775    416
        529.75   5.916    932
        447.00   4.992    538
        236.38   2.640     54
        229.50   2.563     73
        222.44   2.484     67
        215.63   2.408     37
        107.69   1.203   1000
        105.56   1.179     80
        100.75   1.125    854
    

in CDCl3



liquid film