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103-80-0

苯乙酰氯(103-80-0)核磁图(1HNMR)

产品名称:苯乙酰氯

CAS:103-80-0

分子式:C8H7ClO

分子量: 154.59

InChI:InChI=1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey: VMZCDNSFRSVYKQ-UHFFFAOYSA-N

Smiles:C1(CC(Cl)=O)=CC=CC=C1

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    Mass

    MS-NW-0930          
    phenylacetyl chloride
    C8H7ClO             (Mass of molecular ion:    154)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.2
          28.0       1.7
          36.0       5.2
          37.0       1.7
          38.0       3.8
          39.0      10.4
          40.0       1.2
          41.0       1.5
          43.0       1.5
          45.0       2.1
          45.5       5.2
          50.0       4.8
          51.0       6.3
          52.0       1.2
          59.0       1.5
          59.5       1.1
          61.0       2.1
          62.0       4.8
          63.0      11.1
          64.0       4.3
          65.0      12.7
          74.0       1.2
          77.0       1.8
          89.0      21.8
          90.0      26.2
          91.0     100.0
          92.0       8.2
         105.0       2.5
         112.0       1.3
         118.0      26.4
         119.0      10.2
         154.0      12.9
         155.0       1.1
         156.0       4.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H7 Cl O 10.2 mol% in CDCl3
    phenylacetyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.08 B 7.13 to 7.43

         Hz     ppm     Int.
    

        663.69   7.411     38
        663.06   7.404     39
        662.69   7.400     38
        662.31   7.396     38
        661.69   7.389     33
        660.63   7.377    127
        659.31   7.362     82
        658.75   7.356     87
        655.75   7.322    341
        654.50   7.308    304
        653.38   7.296    689
        652.88   7.290    635
        651.13   7.271    390
        650.38   7.262    450
        649.88   7.257    352
        649.44   7.252    240
        649.06   7.248    202
        648.06   7.237     85
        647.44   7.230    137
        647.00   7.225    165
        645.88   7.212     95
        644.38   7.195     56
        642.50   7.174     89
        642.13   7.170    113
        640.81   7.156     35
        640.44   7.151     48
        640.00   7.147     34
        365.13   4.077   1000
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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