539-74-2

3-溴丙酸乙酯(539-74-2)Raman光谱

产品名称:3-溴丙酸乙酯

CAS:539-74-2

分子式:C5H9BrO2

分子量: 181.03

InChI:InChI=1S/C5H9BrO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3

InChIKey: FQTIYMRSUOADDK-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCBr

Mass

MS-NW-1062          
ethyl 3-bromopropionate
C5H9BrO2            (Mass of molecular ion:    180)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       2.8
      18.0       1.2
      26.0       9.4
      27.0      56.8
      28.0      18.4
      29.0     100.0
      30.0       2.3
      31.0       4.2
      41.0       3.3
      42.0       2.2
      43.0       5.8
      44.0       1.1
      45.0      20.1
      55.0      12.2
      56.0       2.3
      59.0       1.8
      73.0      27.8
      74.0       1.3
     101.0      19.3
     102.0       1.4
     106.0       1.8
     107.0      37.0
     108.0       4.3
     109.0      35.8
     110.0       2.5
     135.0      28.9
     136.0       1.1
     137.0      27.5
     138.0       1.0
     152.0      55.5
     153.0       3.3
     154.0      54.3
     155.0       3.0
     180.0       3.3
     182.0       3.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₉ Br O₂	0.04 ml : 0.5 ml CDCl₃
ethyl 3-bromopropionate

    Assign.     Shift(ppm)

      A             4.192
      B             3.58
      C             2.92
      D             1.286

     Hz     ppm     Int.

    386.38   4.315    123
    379.25   4.235    366
    372.13   4.156    388
    365.06   4.077    138
    328.69   3.671    168
    327.81   3.661    156
    321.69   3.592    311
    321.00   3.585    471
    314.94   3.517    267
    314.31   3.510    239
    267.44   2.987    232
    267.00   2.982    215
    260.75   2.912    389
    260.13   2.905    272
    253.94   2.836    139
    253.25   2.828    123
    122.06   1.363    476
    114.94   1.284   1000
    112.63   1.258     38
    107.75   1.204    415

in CDCl3