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返回ChemicalBook首页>CAS数据库列表>785-56-8更多图谱> 3,5-双三氟甲基苯甲酰氯(785-56-8)红外图谱(IR1)

785-56-8

3,5-双三氟甲基苯甲酰氯(785-56-8)红外图谱(IR1)

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

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    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

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    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

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liquid film

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