769-39-1

2,3,5,6-四氟苯酚(769-39-1)Raman光譜

產品名稱:2,3,5,6-四氟苯酚

CAS:769-39-1

分子式:C6H2F4O

分子量: 166.07

InChI:InChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H

InChIKey: PBYIIRLNRCVTMQ-UHFFFAOYSA-N

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

Mass

MS-NW-7661          
2,3,5,6-tetrafluorophenol
C6H2F4O             (Mass of molecular ion:    166)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      28.0       3.2
      31.0       5.9
      37.0       1.7
      51.0       2.1
      56.0       2.3
      68.0      12.2
      69.0       7.0
      71.0       1.6
      74.0       2.4
      75.0       5.5
      79.0       1.5
      80.0       1.8
      83.0       3.5
      87.0       5.5
      88.0       3.0
      93.0       3.7
      98.0       1.6
      99.0      32.4
     100.0       1.9
     106.0       1.1
     117.0       4.9
     118.0      62.2
     119.0       6.9
     137.0       8.3
     146.0       1.0
     165.0       1.3
     166.0     100.0
     167.0       6.7

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₂ F₄ O	0.044 g : 0.5 ml CDCl₃
2,3,5,6-tetrafluorophenol

    Assign.     Shift(ppm)

      A             6.647
      B             5.64

     Hz     ppm     Int.

    616.06   6.879     30
    612.44   6.839    246
    610.56   6.818     44
    609.25   6.803     57
    605.31   6.759    499
    602.31   6.726    493
    598.19   6.680    313
    595.19   6.646    929
    592.19   6.613    286
    590.69   6.596     95
    588.06   6.567    491
    585.06   6.533    469
    582.44   6.504     35
    581.88   6.498     37
    580.50   6.482     39
    577.94   6.454    231
    505.19   5.641   1000

¹H NMR	399.65 MHz
C₆ H₂ F₄ O	0.05 ml : 0.5 ml CDCl₃
2,3,5,6-tetrafluorophenol

    Assign.     Shift(ppm)

      A             6.642

     Hz     ppm     Int.

   2671.63   6.685    271
   2668.95   6.679     35
   2667.60   6.675     47
   2664.43   6.667    540
   2661.38   6.660    538
   2657.35   6.650    324
   2654.30   6.642   1000
   2651.25   6.634    299
   2647.22   6.624    522
   2644.17   6.617    500
   2640.26   6.607     31
   2639.65   6.605     29
   2636.96   6.599    255

in CDCl3