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434-45-7

2,2,2-三氟苯乙酮(434-45-7)质谱(MS)

产品名称:2,2,2-三氟苯乙酮

CAS:434-45-7

分子式:C8H5F3O

分子量: 174.12

InChI:InChI=1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H

InChIKey: KZJRKRQSDZGHEC-UHFFFAOYSA-N

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

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    Mass

    MS-NW-2205          
    2,2,2-trifluoroacetophenone
    C8H5F3O             (Mass of molecular ion:    174)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          27.0       2.5
          37.0       1.6
          38.0       2.8
          38.5       1.4
          39.0       2.0
          49.0       1.2
          50.0      12.3
          51.0      30.9
          52.0       1.4
          52.5       2.3
          69.0       3.6
          74.0       4.1
          75.0       3.0
          76.0       3.4
          77.0      84.9
          78.0       6.0
          95.0       1.0
         104.0       1.5
         105.0     100.0
         106.0       7.8
         174.0       7.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H5 F3 O 0.04 ml : 0.5 ml CDCl3
    2,2,2-trifluoroacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.07 B 7.73 C 7.54

         Hz     ppm     Int.
    

        728.81   8.138    296
        727.38   8.122    443
        726.69   8.115    415
        725.69   8.103    324
        724.56   8.091    204
        723.00   8.073    160
        720.69   8.048    471
        719.94   8.039    571
        718.94   8.028    586
        717.94   8.017    438
        699.06   7.806    120
        697.44   7.788     81
        691.81   7.725    347
        691.44   7.721    359
        688.75   7.691    159
        686.63   7.667    403
        684.94   7.648    676
        682.44   7.620    780
        681.75   7.613   1000
        680.19   7.595    397
        677.00   7.560    314
        675.88   7.547    330
        674.38   7.530    762
        673.75   7.523    496
        672.31   7.507    133
        669.56   7.477    128
        667.94   7.459    247
        665.63   7.433    200
    

CCl4 solution

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liquid film

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