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330-12-1

4-三氟甲氧基苯甲酸(330-12-1)紅外圖譜(IR2)

產(chǎn)品名稱:4-三氟甲氧基苯甲酸

CAS:330-12-1

分子式:C8H5F3O3

分子量: 206.12

InChI:InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)

InChIKey: RATSANVPHHXDCT-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-IW-4200          
p-(trifluoromethoxy)benzoic acid
C8H5F3O3            (Mass of molecular ion:    206)


       Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          38.0       1.4
      39.0       1.7
      50.0       1.7
      53.0       1.2
      62.0       1.0
      63.0       4.1
      64.0       4.7
      65.0       4.0
      69.0       5.6
      74.0       1.0
      75.0       4.3
      76.0       1.0
      81.0       1.6
      92.0       4.1
      95.0      33.6
      96.0       2.4
     109.0       1.6
     121.0       5.4
     161.0      21.1
     162.0       1.7
     189.0     100.0
     190.0       8.8
     206.0      74.7
     207.0       6.7

400 MHz at 40C

  • 圖譜

    1H NMR 399.65 MHz
    C8 H5 F3 O3 0.036 g : 0.5 ml CDCl3 at 40C
    p-(trifluoromethoxy)benzoic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            11.5
      B             8.167
      D             7.299
  

         Hz     ppm     Int.


       3271.35   8.186    125
   3268.79   8.180    896
   3266.59   8.174    294
   3261.83   8.162    318
   3259.63   8.157   1000
   3257.07   8.150    124
   2924.62   7.318     74
   2922.06   7.312    430
   2921.14   7.310    474
   2920.04   7.307    313
   2914.00   7.292    313
   2913.08   7.290    466
   2912.16   7.287    405

in CDCl3

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KBr disc

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nujol mull

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