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2-Bromobutyric acid methyl ester

Product Name 2-Bromobutyric acid methyl ester

CAS3196-15-4

MFC5H9BrO2

MW181.03

¹³CNMR

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

    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

    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

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