28177-48-2

2,6-二氟苯酚(28177-48-2)質(zhì)譜(MS)

產(chǎn)品名稱:2,6-二氟苯酚

CAS:28177-48-2

分子式:C6H4F2O

分子量: 130.09

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

InChIKey: CKKOVFGIBXCEIJ-UHFFFAOYSA-N

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

Mass

MS-IW-1278          
2,6-difluorophenol
C6H4F2O             (Mass of molecular ion:    130)

   Source Temperature: 250 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      31.0       3.7
      37.0       1.2
      38.0       1.1
      41.0       1.6
      50.0       2.0
      51.0       3.9
      53.0       1.5
      55.0       2.7
      56.0       3.5
      57.0       5.0
      61.0       1.7
      62.0       1.6
      63.0      13.4
      64.0       1.0
      65.0       4.1
      68.0       1.0
      75.0       4.4
      80.0       1.1
      81.0      15.8
      82.0      61.7
      83.0       4.4
      99.0       1.2
     101.0       8.1
     110.0      29.5
     111.0       2.0
     129.0       2.6
     130.0     100.0
     131.0       6.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ F₂ O	0.031 g : 0.5 ml CDCl₃
2,6-difluorophenol

    Assign.     Shift(ppm)

      A             6.888
      B             6.793
      C             5.66

     Hz     ppm     Int.

   2772.22   6.937     60
   2770.26   6.932     68
   2764.40   6.918    105
   2763.06   6.914    365
   2761.72   6.911    647
   2760.38   6.907    317
   2756.35   6.897    331
   2754.27   6.892    810
   2753.78   6.891   1000
   2752.69   6.888    821
   2747.31   6.875    808
   2746.09   6.872    682
   2745.61   6.871    619
   2742.31   6.862     41
   2740.60   6.858     33
   2738.53   6.853    129
   2735.35   6.845     80
   2727.78   6.826    313
   2721.80   6.811    616
   2720.34   6.807    245
   2718.38   6.802    187
   2715.82   6.796    321
   2713.99   6.791    432
   2712.89   6.789    380
   2710.94   6.784    154
   2708.37   6.777    226
   2706.67   6.773    197
   2704.96   6.769    273
   2699.10   6.754    140

in CDCl3