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99-91-2

对氯苯乙酮(99-91-2)Raman光谱

产品名称:对氯苯乙酮

CAS:99-91-2

分子式:C8H7ClO

分子量: 154.59

InChI:InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3

InChIKey: BUZYGTVTZYSBCU-UHFFFAOYSA-N

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

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    Mass

    MS-NW-3158          
    4'-chloroacetophenone
    C8H7ClO             (Mass of molecular ion:    154)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.9
          37.0       1.1
          38.0       2.1
          39.0       1.2
          43.0      13.8
          50.0       8.9
          51.0       4.7
          55.5       1.0
          61.0       1.2
          62.0       1.2
          63.0       2.1
          69.5       1.4
          73.0       1.8
          74.0       5.4
          75.0      17.2
          76.0       4.8
          77.0       2.1
          85.0       2.2
          89.0       1.3
         111.0      42.0
         112.0       4.2
         113.0      13.7
         114.0       1.3
         139.0     100.0
         140.0       7.6
         141.0      31.7
         142.0       2.6
         154.0      26.7
         155.0       2.3
         156.0       8.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H7 Cl O 0.04 ml : 0.5 ml CDCl3
    4'-chloroacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.88 B 7.43 C 2.579

         Hz     ppm     Int.
    

        710.88   7.938    143
        710.38   7.932     74
        708.81   7.915     47
        704.19   7.863     55
        702.00   7.839    184
        699.81   7.814     30
        670.88   7.491     31
        668.69   7.467    205
        666.50   7.442     55
        661.94   7.392     52
        660.31   7.373     94
        659.81   7.368    144
        230.94   2.579   1000
        229.81   2.566     36
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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