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394-32-1

5-氟-2-羟基苯乙酮(394-32-1)红外图谱(IR1)

分子式:C8H7FO2

分子量: 154.14

InChI:InChI=1S/C8H7FO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3

InChIKey: KOFFXZYMDLWRHX-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC(F)=CC=C1O)C

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    Mass

    MS-NW-9900          
    5'-fluoro-2'-hydroxyacetophenone
    C8H7FO2             (Mass of molecular ion:    154)
    

       Source Temperature: 260 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          15.0       1.1
          28.0       1.1
          31.0       1.3
          39.0       1.5
          43.0      17.4
          50.0       1.3
          51.0       1.8
          53.0       1.4
          56.0       1.0
          57.0       9.1
          62.0       1.2
          63.0       3.8
          69.5       1.6
          77.0       1.9
          81.0       2.6
          82.0       2.9
          83.0      20.0
          84.0       2.1
          95.0       1.0
          97.0       1.0
         107.0       1.5
         108.0       2.0
         110.0       1.4
         111.0      25.6
         112.0       3.8
         136.0       1.6
         139.0     100.0
         140.0       7.7
         154.0      62.4
         155.0       5.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H7 F O2 0.037 g : 0.5 ml CDCl3
    5'-fluoro-2'-hydroxyacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.0 B 7.393 C 7.215 D 6.948 E 2.614

         Hz     ppm     Int.
    

       4787.24  11.979    316
       2960.70   7.409     71
       2957.77   7.401     76
       2951.91   7.387     72
       2948.98   7.379     77
       2894.21   7.242     37
       2893.85   7.241     39
       2891.10   7.235     37
       2890.73   7.234     37
       2886.34   7.223     46
       2885.97   7.222     47
       2885.06   7.219     50
       2884.69   7.219     50
       2883.22   7.215     42
       2882.86   7.214     42
       2881.94   7.212     48
       2881.58   7.211     47
       2877.18   7.200     50
       2876.81   7.199     51
       2874.07   7.192     44
       2873.70   7.191     44
       2782.48   6.963     85
       2782.12   6.962     83
       2777.90   6.951     84
       2777.54   6.950     79
       2773.32   6.940     73
       2772.96   6.939     71
       2768.74   6.928     69
       1047.53   2.622     31
       1044.78   2.615   1000
    

in CDCl3

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KBr disc

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nujol mull

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