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459-56-3

对氟苯甲醇(459-56-3)红外图谱(IR1)

产品名称:对氟苯甲醇

CAS:459-56-3

分子式:C7H7FO

分子量: 126.13

InChI:InChI=1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

InChIKey: GEZMEIHVFSWOCA-UHFFFAOYSA-N

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

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    Mass

    MS-NW-5491          
    p-fluorobenzyl alcohol
    C7H7FO              (Mass of molecular ion:    126)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       2.9
          28.0       2.3
          29.0       6.6
          31.0       6.0
          37.0       2.1
          38.0       3.2
          39.0       6.5
          44.0       1.0
          49.0       1.6
          50.0       9.6
          51.0      13.4
          52.0       2.2
          53.0       2.5
          56.0       1.2
          57.0       7.5
          59.0       1.4
          61.0       2.1
          62.0       3.6
          62.5       1.9
          63.0       5.8
          68.0       2.4
          69.0       4.3
          70.0       5.6
          71.0       1.6
          73.0       1.2
          74.0       4.6
          75.0      13.2
          76.0       1.8
          77.0      32.1
          78.0       5.5
          79.0       4.0
          81.0       3.3
          82.0       1.1
          83.0      10.1
          89.0       1.9
          94.0       2.0
          95.0      28.1
          96.0      12.3
          97.0      99.1
          98.0       8.4
         105.0      30.5
         106.0       6.8
         107.0       9.6
         108.0       7.2
         109.0      31.7
         110.0       3.3
         123.0       6.2
         124.0       1.6
         125.0      67.8
         126.0     100.0
         127.0       7.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H7 F O 0.04 ml : 0.5 ml CDCl3
    p-fluorobenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.27 B 7.01 C 4.560 D 2.57

         Hz     ppm     Int.
    

        659.13   7.360     38
        658.56   7.354     82
        657.94   7.347     60
        656.25   7.328     37
        653.63   7.299     44
        653.06   7.292     91
        652.44   7.285     83
        651.44   7.274     49
        650.13   7.260    132
        649.56   7.253    166
        649.06   7.248    138
        647.13   7.226     50
        646.50   7.219     55
        644.63   7.198    116
        644.13   7.193    161
        637.50   7.119     33
        634.94   7.090    209
        632.69   7.065     57
        628.44   7.017     45
        626.31   6.994    278
        624.00   6.968     61
        619.69   6.920     37
        617.44   6.895    106
        408.44   4.561    424
        230.38   2.573   1000
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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