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1201-31-6

2,3,4,5-四氟苯甲酸(1201-31-6)紅外圖譜(IR1)

產(chǎn)品名稱:2,3,4,5-四氟苯甲酸

CAS:1201-31-6

分子式:C7H2F4O2

分子量: 194.08

InChI:InChI=1S/C7H2F4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)

InChIKey: SFKRXQKJTIYUAG-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-IW-4205          
2,3,4,5-tetrafluorobenzoic acid
C7H2F4O2            (Mass of molecular ion:    194)


       Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          28.0       1.7
      31.0       3.6
      44.0       2.5
      45.0       5.2
      61.0       2.0
      68.0       1.3
      75.0       4.6
      79.0       2.5
      80.0       5.7
      81.0       6.0
      88.5       2.9
      93.0       1.9
      98.0       1.7
      99.0      27.8
     100.0       2.7
     117.0       1.1
     118.0       1.8
     119.0       3.1
     130.0       7.1
     131.0       1.1
     146.0       1.3
     148.0       2.0
     149.0      45.8
     150.0       9.5
     166.0       1.2
     174.0       3.6
     175.0       1.3
     176.0       1.0
     177.0     100.0
     178.0       7.7
     194.0      92.0
     195.0       7.5

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C7 H2 F4 O2 0.039 g : 0.5 ml CDCl3
    2,3,4,5-tetrafluorobenzoic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            11.8
      B             7.705
  

         Hz     ppm     Int.


       4709.39  11.784    248
   3093.87   7.742    513
   3091.48   7.736    570
   3088.00   7.727    558
   3085.62   7.721    977
   3083.79   7.717    863
   3083.42   7.716    875
   3081.41   7.711    708
   3079.76   7.707    670
   3077.38   7.701    881
   3075.55   7.696   1000
   3073.17   7.690    638
   3069.69   7.681    547
   3067.12   7.675    547
   3061.99   7.662     38

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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