367-27-1

2,4-二氟苯酚(367-27-1)核磁圖(¹³CNMR)

產(chǎn)品名稱:2,4-二氟苯酚

CAS:367-27-1

分子式:C6H4F2O

分子量: 130.09

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

InChIKey: NVWVWEWVLBKPSM-UHFFFAOYSA-N

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

Mass

MS-NW-7300          
2,4-difluorophenol
C6H4F2O             (Mass of molecular ion:    130)

   Source Temperature: 200 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      31.0       4.7
      37.0       1.2
      38.0       1.2
      41.0       1.3
      50.0       3.2
      51.0       5.5
      52.0       1.3
      53.0       2.1
      55.0       2.7
      56.0       3.8
      57.0       5.5
      61.0       2.4
      62.0       2.3
      63.0      10.2
      65.0       4.4
      68.0       1.3
      74.0       1.4
      75.0       6.0
      76.0       1.6
      80.0       1.4
      81.0      13.6
      82.0      73.5
      83.0       6.1
      99.0       2.1
     100.0       1.2
     101.0      17.2
     102.0       2.9
     110.0       7.0
     129.0       2.6
     130.0     100.0
     131.0       7.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ F₂ O	0.05 ml : 0.5 ml CDCl₃
2,4-difluorophenol

    Assign.     Shift(ppm)

      A             6.937
      B             6.826
      C             6.743
      D             5.80

     Hz     ppm     Int.

   2789.79   6.981     31
   2784.91   6.969    604
   2779.54   6.955    640
   2775.63   6.946    832
   2775.27   6.945    781
   2772.34   6.937    107
   2770.26   6.932    831
   2769.78   6.931    785
   2765.99   6.922    735
   2760.50   6.908    716
   2746.83   6.874     30
   2739.26   6.855    646
   2736.33   6.847    736
   2733.52   6.840     90
   2730.96   6.834    676
   2728.15   6.827   1000
   2725.59   6.820    763
   2722.90   6.814     79
   2722.17   6.812     79
   2719.97   6.806    620
   2717.29   6.800    737
   2713.99   6.791     46
   2711.67   6.786     37
   2710.94   6.784     34
   2709.72   6.781     41
   2709.11   6.779     42
   2704.71   6.768    597
   2703.00   6.764    596
   2701.78   6.761    531
   2700.07   6.757    522
   2698.24   6.752    122
   2696.66   6.748    653
   2695.80   6.746    603
   2694.95   6.744    700
   2693.97   6.741    773
   2692.87   6.739    536
   2692.02   6.736    603
   2691.04   6.734    499
   2687.74   6.726    476
   2686.04   6.721    480
   2684.69   6.718    418
   2682.98   6.714    409
   2320.19   5.806    155

in CDCl3