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2-Bromobutyric acid methyl ester

CAS3196-15-4

MFC5H9BrO2

MW181.03

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  • Mass

    MS-IW-5464          
    methyl 2-bromobutyrate
    C5H9BrO2            (Mass of molecular ion:    180)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0      21.6
          26.0       2.9
          27.0      13.1
          28.0       2.3
          29.0      10.5
          30.0       1.5
          31.0       4.0
          37.0       1.5
          38.0       3.1
          39.0      22.8
          40.0       4.8
          41.0      82.2
          42.0      10.8
          43.0       5.0
          44.0       1.5
          45.0       2.1
          55.0      11.0
          59.0     100.0
          60.0       3.0
          68.0       4.7
          69.0      25.6
          70.0       3.0
          72.0       1.0
          74.0       1.4
          79.0       1.9
          80.0       4.4
          81.0       1.9
          82.0       4.3
          87.0       2.9
          93.0       3.0
          94.0       3.0
          95.0       3.6
          96.0       2.5
         101.0      58.2
         102.0       3.4
         107.0       1.4
         120.0       4.7
         121.0      29.5
         122.0       5.6
         123.0      28.8
         124.0       1.0
         135.0       1.0
         149.0       7.2
         151.0       7.0
         152.0      86.4
         153.0       3.1
         154.0      84.1
         155.0       2.9
    

90 MHz in CDCl3

400 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C5 H9 Br O2 9.6 mol% in CDCl3
    methyl 2-bromobutyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.03 B 2.06 C 4.19 D 3.784

         Hz     ppm     Int.
    

        382.13   4.267     57
        375.25   4.190     67
        374.56   4.183     65
        367.69   4.106     60
        338.88   3.784   1000
        194.13   2.168     32
        193.25   2.158     48
        190.94   2.132     51
        186.38   2.082     51
        185.69   2.074     55
        184.56   2.061     31
        183.88   2.054     61
        183.38   2.048     46
        178.88   1.998     54
        177.06   1.977     45
        176.25   1.968     48
         99.19   1.108    132
         92.00   1.028    266
         84.69   0.946     92
         84.06   0.939     56
    


  • 1H NMR 399.65 MHz
    C5 H9 Br O2 0.05 ml : 0.5 ml CDCl3
    methyl 2-bromobutyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.192 B 3.786 C *1 2.110 D *1 2.016 E 1.031 J(C,D)=-14.4HZ

         Hz     ppm     Int.
    

       1682.50   4.210    126
       1675.66   4.193    147
       1674.93   4.191    160
       1667.97   4.174    126
       1513.31   3.787   1000
        859.74   2.152     43
        852.42   2.133     76
        845.34   2.116    116
        838.13   2.098    119
        831.30   2.081     81
        825.81   2.067     26
        823.97   2.062     30
        818.36   2.048     82
        810.91   2.030    122
        803.47   2.011    108
        796.39   1.993     72
        789.06   1.975     46
        419.31   1.050    355
        411.99   1.031    580
        404.54   1.013    321
    

in CDCl3



liquid film