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70-11-1

2-溴苯乙酮(70-11-1)核磁图(13CNMR)

产品名称:2-溴苯乙酮

CAS:70-11-1

分子式:C8H7BrO

分子量: 199.04

InChI:InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2

InChIKey: LIGACIXOYTUXAW-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1802          
    2-bromoacetophenone
    C8H7BrO             (Mass of molecular ion:    198)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       1.6
          37.0       1.1
          38.0       2.3
          39.0       5.3
          42.0       2.4
          49.0       1.0
          50.0      12.3
          51.0      25.8
          52.0       1.7
          62.0       1.9
          63.0       3.3
          65.0       4.6
          74.0       4.0
          75.0       2.5
          76.0       3.7
          77.0      49.2
          78.0       3.6
          89.0       1.5
          91.0      14.6
          92.0       1.1
         105.0     100.0
         106.0       7.7
         198.0       1.5
         200.0       1.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H7 Br O 0.044 g : 0.5 ml CDCl3
    2-bromoacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.973 B 7.55 to 7.47 C 4.448

         Hz     ppm     Int.
    

        719.69   8.036    102
        718.13   8.019    109
        716.75   8.004     43
        716.44   8.000     43
        715.63   7.991     42
        714.13   7.974     39
        712.50   7.956    101
        712.00   7.950    101
        709.94   7.927    155
        708.69   7.914     30
        683.19   7.629     40
        682.06   7.616     56
        679.38   7.586     38
        678.31   7.574     86
        676.38   7.553    251
        675.31   7.541     92
        674.13   7.528    126
        672.19   7.506     49
        670.25   7.484     57
        669.19   7.472     81
        668.69   7.467    104
        662.88   7.402     35
        398.44   4.449   1000
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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