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6091-64-1

2-溴苯甲酸乙酯(6091-64-1)Raman光谱

产品名称:2-溴苯甲酸乙酯

CAS:6091-64-1

分子式:C9H9BrO2

分子量: 229.07

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

InChIKey: BIHHBTVQFPVSTE-UHFFFAOYSA-N

Smiles:C(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

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

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liquid film

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