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返回ChemicalBook首頁>CAS數據庫列表>14892-14-9更多圖譜> 2,3,4,5,6-五氟苯氧基乙酸(14892-14-9)質譜(MS)

14892-14-9

2,3,4,5,6-五氟苯氧基乙酸(14892-14-9)質譜(MS)

分子式:C8H3F5O3

分子量: 242.1

InChI:InChI=1S/C8H3F5O3/c9-3-4(10)6(12)8(7(13)5(3)11)16-1-2(14)15/h1H2,(H,14,15)

InChIKey: SMXPFEBIAASLOR-UHFFFAOYSA-N

Smiles:C(O)(=O)COC1=C(F)C(F)=C(F)C(F)=C1F

  • 圖譜
    Mass 

    MS-NW-9523          
(pentafluorophenoxy)acetic acid
C8H3F5O3            (Mass of molecular ion:    242)


       Source Temperature: 170 °C
   Sample Temperature:  90 °C
   Direct, 75 eV


          18.0       4.7
      28.0       1.5
      29.0       2.0
      31.0       4.9
      42.0       1.6
      45.0       1.8
      59.0       4.1
      69.0       3.3
      86.0       1.1
      93.0       3.4
      98.0       1.9
      98.5       1.3
      99.0       1.9
     105.0       1.8
     117.0      11.6
     119.0       6.2
     136.0       8.4
     137.0       1.6
     148.0       1.6
     149.0       1.9
     155.0      10.2
     164.0       2.2
     165.0       1.4
     167.0      11.3
     168.0       1.6
     169.0       4.4
     183.0       5.0
     184.0     100.0
     185.0       6.6
     195.0       1.5
     197.0      13.5
     198.0       1.0
     242.0      46.7
     243.0       4.2

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C8 H3 F5 O3 0.048 g : 0.5 ml CDCl3
    (pentafluorophenoxy)acetic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             9.43
      B             4.845
  

         Hz     ppm     Int.


        844.49   9.430    145
    434.17   4.848   1000
    431.95   4.824     69
    430.41   4.806     36

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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