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403-42-9

4-氟苯乙酮(403-42-9)Raman光谱

产品名称:4-氟苯乙酮

CAS:403-42-9

分子式:C8H7FO

分子量: 138.14

InChI:InChI=1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3

InChIKey: ZDPAWHACYDRYIW-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6439          
    4'-fluoroacetophenone
    C8H7FO              (Mass of molecular ion:    138)
    

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

          15.0       3.2
          31.0       1.1
          37.0       1.0
          38.0       1.1
          39.0       1.5
          42.0       1.0
          43.0      13.0
          50.0       5.0
          51.0       2.8
          57.0       2.0
          61.5       1.0
          62.0       1.3
          63.0       1.6
          68.0       1.8
          69.0       3.3
          70.0       1.0
          74.0       3.0
          75.0      14.5
          76.0       1.4
          83.0       1.4
          94.0       2.7
          95.0      60.5
          96.0       5.8
         109.0       1.6
         123.0     100.0
         124.0       7.7
         138.0      21.9
         139.0       2.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H7 F O 0.05 ml : 0.5 ml CDCl3
    4'-fluoroacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.977 B 7.113 C 2.577

         Hz     ppm     Int.
    

       3198.24   8.003     40
       3195.43   7.996    230
       3193.24   7.991     91
       3189.94   7.982    242
       3188.48   7.979    108
       3187.74   7.977    108
       3186.28   7.973    230
       3183.11   7.965     96
       3180.91   7.960    232
       3178.10   7.953     40
       2854.37   7.143     44
       2851.56   7.136    246
       2849.37   7.130     81
       2845.95   7.122     58
       2844.73   7.119    104
       2843.14   7.115    316
       2842.53   7.113    291
       2840.94   7.109     92
       2839.60   7.106     48
       2836.18   7.097     83
       2834.11   7.092    219
       2831.18   7.085     41
       1029.91   2.578   1000
       1026.61   2.569     63
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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