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4252-78-2

2,2',4'-三氯苯乙酮(4252-78-2)核磁图(13CNMR)

分子式:C8H5Cl3O

分子量: 223.48

InChI:InChI=1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2

InChIKey: VYWPPRLJNVHPEU-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C(Cl)C=C1Cl)CCl

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    Mass

    MS-NW-8929          
    2,2',4'-trichloroacetophenone
    C8H5Cl3O            (Mass of molecular ion:    222)
    

       Source Temperature: 260 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          42.0       1.3
          49.0       1.8
          50.0       3.1
          51.0       1.2
          62.0       1.4
          63.0       2.1
          73.0       2.4
          74.0       9.0
          75.0      10.1
          84.0       2.4
          85.0       2.0
          86.0       1.3
          87.0       1.3
          89.0       2.0
          99.0       1.1
         109.0      12.4
         110.0       4.6
         111.0       4.6
         112.0       1.4
         123.0       2.4
         124.0       1.0
         145.0      21.2
         146.0       1.9
         147.0      13.5
         148.0       1.0
         149.0       2.2
         159.0       3.2
         161.0       1.9
         173.0     100.0
         174.0       7.8
         175.0      64.2
         176.0       5.0
         177.0      10.5
    

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in CDCl3

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KBr disc

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nujol mull

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