Ethyl 2-bromobenzoate(6091-64-1) IR1

Product NameEthyl 2-bromobenzoate

CAS 6091-64-1

Molecular FormulaC9H9BrO2

Molecular Weight229.07

InChIInChI=1S/C9H9BrO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3

InChIKey BIHHBTVQFPVSTE-UHFFFAOYSA-N

SmilesC(OCC)(=O)C1=CC=CC=C1Br

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Mass

MS-IW-4038          
ethyl o-bromobenzoate
C9H9BrO2            (Mass of molecular ion:    228)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       3.0
      29.0       5.4
      39.0       1.0
      45.0       2.5
      50.0       9.6
      51.0       2.8
      65.0       2.0
      74.0       3.2
      75.0      15.7
      76.0      18.6
      77.0       5.8
      92.0       1.0
      93.0       1.2
     104.0       2.8
     105.0       1.4
     120.0       2.4
     121.0       1.2
     131.0       1.1
     149.0       2.9
     155.0      22.6
     156.0       2.3
     157.0      22.2
     158.0       1.8
     183.0     100.0
     184.0      10.7
     185.0      98.2
     186.0      10.2
     200.0      31.7
     201.0       2.8
     202.0      31.1
     203.0       2.6
     227.0       4.3
     228.0      21.0
     229.0       6.2
     230.0      20.4
     231.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ Br O₂	0.05 ml : 0.5 ml CDCl₃
ethyl o-bromobenzoate

    Assign.     Shift(ppm)

      A             7.762
      B             7.628
      C             7.334
      D             7.293
      E             4.389
      F             1.390

     Hz     ppm     Int.

   3107.79   7.777    170
   3105.59   7.771    199
   3100.34   7.758    172
   3099.73   7.757    161
   3098.27   7.753    190
   3053.59   7.641    177
   3052.25   7.638    167
   3051.64   7.636    146
   3045.65   7.621    225
   3044.31   7.618    204
   2940.55   7.358     83
   2939.21   7.355     94
   2933.11   7.340    224
   2931.76   7.336    210
   2925.78   7.321    181
   2924.19   7.317    162
   2921.75   7.311    180
   2919.68   7.306    191
   2913.94   7.292    175
   2912.11   7.287    187
   2906.49   7.273     88
   2904.66   7.269     76
   1765.01   4.417    196
   1757.93   4.399    555
   1750.73   4.381    560
   1743.65   4.363    212
    562.87   1.409    570
    555.79   1.391   1000
    548.58   1.373    567

in CDCl3