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

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

¹H NMR	399.65 MHz
C₇ H₇ F O	0.036 g : 0.5 ml CDCl₃
4-fluoro-o-cresol

    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