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2-OCTYNOIC ACID ISOAMYL ESTER

CAS68555-60-2

MFC13H22O2

MW210.31

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  • Mass

    MS-IW-7344          
    isopentyl 2-octynoate
    C13H22O2            (Mass of molecular ion:    210)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       4.8
          28.0       1.6
          29.0      10.7
          39.0       5.3
          41.0      14.6
          42.0       9.8
          43.0      25.7
          44.0       1.3
          45.0       1.0
          53.0       4.3
          54.0       1.4
          55.0      37.0
          56.0       4.4
          57.0       3.0
          65.0       1.1
          66.0       4.9
          67.0      11.6
          68.0       4.2
          69.0       8.4
          70.0     100.0
          71.0      16.4
          77.0       1.3
          79.0       3.9
          80.0       2.3
          81.0       5.7
          82.0       1.6
          83.0       1.0
          84.0       1.7
          85.0       1.0
          86.0       1.0
          93.0       3.6
          94.0       1.7
          95.0       9.4
          96.0       1.1
          97.0       1.7
          98.0       1.8
          99.0       1.4
         109.0       2.3
         111.0       3.1
         112.0       1.6
         123.0      41.4
         124.0       3.9
         125.0       3.1
         139.0       1.8
         140.0       2.3
         141.0      27.7
         142.0       2.6
         155.0       1.2
         167.0       3.1
         195.0       1.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C13 H22 O2 0.05 ml : 0.5 ml CDCl3
    isopentyl 2-octynoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.185 B 2.324 C 1.713 D 1.59 E 1.56 F 1.38 G 1.32 J 0.929 K 0.909

         Hz     ppm     Int.
    

       1679.57   4.203    167
       1672.61   4.186    322
       1665.65   4.168    173
        936.40   2.344    157
        929.20   2.326    317
        922.00   2.308    170
        692.50   1.733     45
        685.55   1.716     55
        678.71   1.699     50
        672.12   1.682     31
        642.33   1.608     64
        640.63   1.603     44
        634.64   1.588    171
        631.47   1.581     37
        627.81   1.571    301
        620.85   1.554    212
        613.89   1.537     66
        563.23   1.410     46
        559.94   1.402     51
        556.03   1.392     56
        554.20   1.387     60
        551.64   1.381     56
        550.05   1.377     46
        547.61   1.371     73
        547.00   1.369     74
        545.65   1.366     50
        544.56   1.363     70
        541.38   1.355     82
        540.28   1.352     84
        536.87   1.344     36
        534.91   1.339     70
        534.42   1.338     71
        533.45   1.335     69
        530.03   1.327     31
        529.42   1.325     35
        527.47   1.320     55
        526.86   1.319     55
        379.15   0.949     57
        377.44   0.945    141
        374.63   0.938   1000
        372.56   0.933     97
        370.85   0.928    159
        369.14   0.924    308
        367.92   0.921    973
        363.89   0.911     71
        362.18   0.907    398
        357.30   0.895     47
        354.98   0.889    153
    

in CDCl3



liquid film