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445-27-2

邻氟苯乙酮(445-27-2)红外图谱(IR1)

产品名称:邻氟苯乙酮

CAS:445-27-2

分子式:C8H7FO

分子量: 138.14

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

InChIKey: QMATYTFXDIWACW-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=CC=C1F)C

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    Mass

    MS-IW-1265          
    2'-fluoroacetophenone
    C8H7FO              (Mass of molecular ion:    138)
    

       Source Temperature: 240 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          39.0       1.0
          43.0      10.3
          50.0       2.8
          51.0       1.9
          57.0       1.3
          61.5       1.3
          62.0       1.0
          63.0       1.1
          68.0       1.5
          69.0       2.4
          74.0       2.1
          75.0      10.5
          76.0       1.0
          83.0       1.0
          94.0       1.9
          95.0      33.4
          96.0       4.8
         109.0       1.0
         123.0     100.0
         124.0       7.8
         138.0      24.3
         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
    2'-fluoroacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.858 B 7.503 C 7.203 D 7.115 E 2.621

         Hz     ppm     Int.
    

       3149.17   7.880     92
       3147.71   7.877     89
       3147.34   7.876     98
       3141.72   7.862    175
       3139.77   7.857    185
       3133.91   7.842    102
       3132.32   7.838    101
       3131.96   7.837    107
       3010.50   7.533     58
       3008.54   7.528     63
       3005.37   7.521     62
       3003.54   7.516     84
       3003.17   7.515     99
       3002.20   7.513     88
       3001.22   7.510     91
       3000.24   7.508     84
       2998.05   7.502     78
       2997.07   7.500     88
       2996.22   7.498     95
       2995.24   7.495    102
       2994.87   7.494    112
       2992.92   7.489     82
       2989.75   7.481     75
       2987.92   7.477     78
       2886.84   7.224    140
       2885.74   7.221    160
       2879.52   7.206    159
       2879.03   7.204    197
       2878.42   7.203    214
       2877.93   7.202    212
       2871.70   7.186    125
       2870.61   7.183    141
       2853.52   7.141    115
       2852.78   7.139    117
       2852.42   7.138    110
       2845.21   7.120    107
       2844.48   7.118    111
       2844.12   7.117    104
       2842.29   7.112    123
       2841.55   7.111    126
       2841.19   7.110    119
       2833.98   7.092    106
       2833.25   7.090    110
       2832.89   7.089    104
       1053.10   2.636     41
       1050.17   2.628    951
       1045.29   2.616   1000
       1041.99   2.608     62
    

in CDCl3

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liquid film

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