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返回ChemicalBook首页>CAS数据库列表>2251-65-2更多图谱> 3-(三氟甲基)苯甲酰氯(2251-65-2)核磁图(13CNMR)

2251-65-2

3-(三氟甲基)苯甲酰氯(2251-65-2)核磁图(13CNMR)

分子式:C8H4ClF3O

分子量: 208.57

InChI:InChI=1S/C8H4ClF3O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H

InChIKey: RUJYJCANMOTJMO-UHFFFAOYSA-N

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

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    Mass

    MS-IW-2606          
    m-(trifluoromethyl)benzoyl chloride
    C8H4ClF3O           (Mass of molecular ion:    208)
    

       Source Temperature: 200 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          31.0       1.0
          37.0       1.5
          38.0       2.1
          39.0       1.0
          49.0       1.1
          50.0      10.9
          51.0       3.0
          57.0       2.2
          62.0       1.5
          63.0       3.2
          69.0       3.8
          73.0       1.3
          74.0       6.0
          75.0      13.6
          76.0       4.2
          77.0       2.5
          81.0       1.0
          86.5       1.0
          94.0       1.6
          95.0      12.9
          99.0       2.5
         119.0       1.6
         125.0       6.9
         126.0       3.8
         143.0       1.3
         144.0       1.9
         145.0      71.6
         146.0       5.5
         161.0       1.2
         173.0     100.0
         174.0       9.1
         189.0       5.7
         191.0       1.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H4 Cl F3 O 0.05 ml : 0.5 ml CDCl3
    m-(trifluoromethyl)benzoyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.364 B 8.320 C 7.954 D 7.709

         Hz     ppm     Int.
    

       3342.90   8.365    694
       3329.47   8.331    532
       3321.53   8.312    580
       3183.84   7.967    537
       3183.23   7.966    544
       3175.90   7.947    644
       3175.29   7.946    650
       3163.70   7.917     22
       3162.84   7.915     22
       3091.67   7.736     34
       3088.38   7.728    584
       3080.44   7.708   1000
       3072.63   7.689    489
       3066.16   7.673     31
       3065.43   7.671     32
    

in CDCl3

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liquid film

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