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99-02-5

3-氯苯乙酮(99-02-5)Raman光谱

产品名称:3-氯苯乙酮

CAS:99-02-5

分子式:C8H7ClO

分子量: 154.59

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

InChIKey: UUWJBXKHMMQDED-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6407          
    3'-chloroacetophenone
    C8H7ClO             (Mass of molecular ion:    154)
    

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

          15.0       3.9
          18.0       1.1
          37.0       1.6
          38.0       2.7
          39.0       2.0
          42.0       1.2
          43.0      31.5
          49.0       1.2
          50.0      10.7
          51.0       6.0
          55.5       1.1
          61.0       1.6
          62.0       1.3
          63.0       2.3
          69.5       1.7
          73.0       1.8
          74.0       5.3
          75.0      19.9
          76.0       5.8
          77.0       3.2
          85.0       2.7
          89.0       1.7
         111.0      48.7
         112.0       4.9
         113.0      15.8
         114.0       1.5
         139.0     100.0
         140.0       8.2
         141.0      33.0
         142.0       2.7
         154.0      34.7
         155.0       3.4
         156.0      11.3
         157.0       1.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H7 Cl O 0.04 ml : 0.5 ml CDCl3
    3'-chloroacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.91 B 7.82 C 7.50 D 7.39 E 2.589

         Hz     ppm     Int.
    

        711.00   7.939     34
        710.19   7.930     41
        709.31   7.920     79
        708.69   7.914     66
        708.31   7.909     50
        707.25   7.897     73
        706.69   7.891     61
        705.88   7.882     46
        704.19   7.863     63
        698.81   7.803     46
        697.06   7.784     65
        695.44   7.766     43
        679.06   7.583     31
        672.88   7.514     77
        671.06   7.493    111
        669.00   7.470    117
        668.13   7.461     80
        661.88   7.391     62
        661.25   7.384     60
        231.88   2.590   1000
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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