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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>2251-65-2更多圖譜> 3-(三氟甲基)苯甲酰氯(2251-65-2)質(zhì)譜(MS)

2251-65-2

3-(三氟甲基)苯甲酰氯(2251-65-2)質(zhì)譜(MS)

產(chǎn)品名稱:3-(三氟甲基)苯甲酰氯

CAS:2251-65-2

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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

liquid film

  • 圖譜

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