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2142-69-0

2-溴苯乙酮(2142-69-0)红外图谱(IR1)

产品名称:2-溴苯乙酮

CAS:2142-69-0

分子式:C8H7BrO

分子量: 199.04

InChI:InChI=1S/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3

InChIKey: PIMNFNXBTGPCIL-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=CC=C1Br)C

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    Mass

    MS-NW-5844          
    2'-bromoacetophenone
    C8H7BrO             (Mass of molecular ion:    198)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       4.5
          27.0       1.0
          28.0       1.0
          37.0       1.8
          38.0       5.2
          39.0       3.0
          42.0       1.8
          43.0      36.7
          44.0       1.1
          49.0       1.7
          50.0      19.6
          51.0       8.0
          52.0       1.0
          61.0       1.2
          62.0       1.9
          63.0       3.0
          65.0       1.1
          73.0       1.6
          74.0       7.6
          75.0      17.8
          76.0      19.2
          77.0       9.0
          77.5       1.1
          78.5       1.0
          89.0       2.3
          90.0       1.8
          91.0       1.7
          91.5       1.7
          92.5       1.7
         104.0       2.6
         105.0       1.7
         139.0       1.0
         155.0      30.4
         156.0       3.5
         157.0      30.0
         158.0       3.2
         183.0     100.0
         184.0       8.1
         185.0      97.6
         186.0       7.8
         198.0      22.3
         199.0       2.3
         200.0      22.0
         201.0       2.0
    

90 MHz in CDCl3

400 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H7 Br O 0.04 ml : 0.5 ml CDCl3
    2'-bromoacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.60 B 7.46 C 7.36 D 7.28 E 2.623

         Hz     ppm     Int.
    

        686.25   7.663     29
        685.69   7.657     29
        684.19   7.640     26
        682.44   7.620     27
        679.75   7.590     41
        679.31   7.585     36
        677.25   7.562     52
        676.63   7.556     53
        668.63   7.466     30
        666.88   7.447     55
        664.81   7.424     87
        664.19   7.417     61
        662.06   7.393     27
        660.50   7.375    100
        658.44   7.352    141
        654.56   7.309     68
        651.44   7.274     66
        648.69   7.244     35
        234.88   2.623   1000
    

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    1H NMR 399.65 MHz
    C8 H7 Br O 0.05 ml : 0.5 ml CDCl3
    2'-bromoacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.590 B 7.455 C 7.356 D 7.282 E 2.613

         Hz     ppm     Int.
    

       3038.21   7.603     85
       3037.35   7.601     81
       3036.99   7.600     80
       3030.27   7.583     94
       3029.42   7.581     92
       3029.05   7.580     89
       2985.84   7.472     66
       2984.01   7.467     70
       2978.15   7.452     94
       2976.68   7.449     93
       2948.12   7.377     55
       2946.90   7.374     57
       2940.67   7.359    104
       2939.45   7.356     97
       2933.11   7.340     62
       2931.88   7.337     59
       2918.09   7.302     74
       2916.26   7.298     73
       2910.16   7.282     79
       2908.33   7.278     73
       2902.71   7.264     42
       2901.00   7.259     38
       1044.56   2.614   1000
    

in CDCl3

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liquid film

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