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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>785-56-8更多圖譜> 3,5-雙三氟甲基苯甲酰氯(785-56-8)質(zhì)譜(MS)

785-56-8

3,5-雙三氟甲基苯甲酰氯(785-56-8)質(zhì)譜(MS)

產(chǎn)品名稱:3,5-雙三氟甲基苯甲酰氯

CAS:785-56-8

分子式:C9H3ClF6O

分子量: 276.56

InChI:InChI=1S/C9H3ClF6O/c10-7(17)4-1-5(8(11,12)13)3-6(2-4)9(14,15)16/h1-3H

InChIKey: WAKMMQSMEDJRRI-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-9960          
3,5-bis(trifluoromethyl)benzoyl chloride
C9H3ClF6O           (Mass of molecular ion:    276)


       Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV


          50.0       1.6
      69.0       3.3
      74.0       3.3
      75.0       6.0
      93.0       1.2
      94.0       1.5
      97.0       1.6
      99.0       1.9
     111.0       2.4
     113.0       1.0
     123.0       1.1
     125.0       2.7
     143.0       7.0
     144.0       6.7
     162.0       1.8
     163.0      12.0
     193.0       2.1
     194.0       5.0
     213.0      54.0
     214.0       4.8
     229.0       1.3
     241.0     100.0
     242.0       9.8
     257.0       9.6
     258.0       1.4
     259.0       3.2

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C9 H3 Cl F6 O 0.05 ml : 0.5 ml CDCl3
    3,5-bis(trifluoromethyl)benzoyl chloride
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.586
      B             8.219
  

         Hz     ppm     Int.


       3432.86   8.590    833
   3432.25   8.589    983
   3431.76   8.587   1000
   3431.15   8.586    999
   3430.66   8.585    972
   3285.52   8.221    452
   3284.79   8.220    498
   3284.18   8.218    437

in CDCl3

  • 圖譜

liquid film

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  • 圖譜

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