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452-72-2

4-氟-2-甲基苯酚(452-72-2)Raman光谱

产品名称:4-氟-2-甲基苯酚

CAS:452-72-2

分子式:C7H7FO

分子量: 126.13

InChI:InChI=1S/C7H7FO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3

InChIKey: GKQDDKKGDIVDAG-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(F)C=C1C

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    Mass

    MS-KW-0178          
    4-fluoro-o-cresol
    C7H7FO              (Mass of molecular ion:    126)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.8
          28.0       1.6
          31.0       1.4
          38.0       2.1
          39.0       4.9
          44.0       1.1
          50.0       4.1
          51.0       9.0
          52.0       2.0
          53.0       3.1
          57.0       4.9
          62.0       1.6
          62.5       2.1
          63.0       5.7
          68.0       1.1
          69.0       1.9
          70.0       3.8
          71.0       1.6
          74.0       1.5
          75.0       3.4
          77.0      11.4
          78.0       3.5
          79.0       1.2
          81.0       1.7
          83.0       2.4
          84.0       1.4
          95.0       7.8
          96.0       6.4
          97.0      26.5
          98.0       4.9
         105.0       3.1
         107.0      12.4
         108.0      18.0
         109.0       8.5
         123.0       1.0
         125.0      73.7
         126.0     100.0
         127.0       7.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H7 F O 0.036 g : 0.5 ml CDCl3
    4-fluoro-o-cresol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.830 B 6.751 C 6.686 D 4.76 E 2.221

         Hz     ppm     Int.
    

       2735.72   6.846     81
       2732.91   6.839     94
       2726.68   6.823     80
       2723.75   6.816     92
       2709.59   6.780     45
       2709.23   6.780     45
       2706.54   6.773     37
       2706.18   6.772     36
       2701.05   6.759    109
       2700.44   6.758     92
       2698.00   6.751     89
       2697.39   6.750     76
       2692.87   6.739     76
       2692.38   6.737     75
       2689.82   6.731     66
       2689.33   6.730     64
       2677.61   6.700    162
       2672.85   6.688    165
       2668.82   6.678     93
       2664.06   6.666     86
       1903.93   4.764    473
        887.70   2.222   1000
    

in CDCl3

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KBr disk

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Nujol

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