2713-31-7

2,5-二氟苯酚(2713-31-7)核磁图(¹HNMR)

产品名称:2,5-二氟苯酚

CAS:2713-31-7

分子式:C6H4F2O

分子量: 130.09

InChI:InChI=1S/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

InChIKey: INXKVYFOWNAVMU-UHFFFAOYSA-N

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

Mass

MS-IW-9231          
2,5-difluorophenol
C6H4F2O             (Mass of molecular ion:    130)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      31.0       5.6
      37.0       1.8
      38.0       1.8
      50.0       2.8
      51.0       6.7
      52.0       1.5
      53.0       1.3
      55.0       1.5
      56.0       3.6
      57.0       7.1
      61.0       2.2
      62.0       2.3
      63.0      13.4
      64.0       1.1
      65.0       4.9
      73.0       1.7
      75.0       4.8
      76.0       1.2
      80.0       1.0
      81.0      13.7
      82.0      74.9
      83.0       5.8
      99.0       1.5
     100.0       1.0
     101.0      14.7
     102.0       3.8
     110.0       3.9
     130.0     100.0
     131.0       6.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ F₂ O	0.046 g : 0.5 ml CDCl₃
2,5-difluorophenol

    Assign.     Shift(ppm)

      A             7.008
      B             6.744
      C             6.554
      D             5.5

     Hz     ppm     Int.

   2816.65   7.048     30
   2813.11   7.039    778
   2808.11   7.027    815
   2804.08   7.017    952
   2803.10   7.014    901
   2799.07   7.004    926
   2798.10   7.002    907
   2794.07   6.992    876
   2791.63   6.986     58
   2788.94   6.979    836
   2704.83   6.768    802
   2701.78   6.761    878
   2697.88   6.751    858
   2695.68   6.746    924
   2694.82   6.743   1000
   2692.63   6.738    884
   2688.60   6.728    802
   2685.55   6.720    855
   2633.42   6.590     44
   2633.18   6.589     44
   2630.98   6.584    580
   2627.81   6.576    657
   2627.44   6.575    682
   2624.27   6.567    577
   2623.05   6.564    651
   2621.95   6.561    609
   2619.51   6.555    786
   2618.77   6.553    731
   2618.41   6.552    681
   2616.33   6.547    587
   2615.23   6.544    545
   2614.01   6.541    558
   2610.84   6.533    603
   2610.47   6.532    598
   2607.30   6.524    466
   2186.89   5.473    136

in CDCl3