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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>138526-69-9更多圖譜> 3,4,5-三氟溴苯(138526-69-9)質(zhì)譜(MS)

138526-69-9

3,4,5-三氟溴苯(138526-69-9)質(zhì)譜(MS)

產(chǎn)品名稱:3,4,5-三氟溴苯

CAS:138526-69-9

分子式:C6H2BrF3

分子量: 210.98

InChI:InChI=1S/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H

InChIKey: HKJCELUUIFFSIN-UHFFFAOYSA-N

Smiles:C1(F)=CC(Br)=CC(F)=C1F

  • 圖譜
    Mass

    MS-IW-8149          
    5-bromo-1,2,3-trifluorobenzene
    C6H2BrF3            (Mass of molecular ion:    210)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          31.0       4.6
          37.0       1.7
          50.0       1.2
          56.0       1.7
          57.0       1.5
          61.0       5.3
          62.0       5.3
          68.0       3.0
          74.0       1.4
          75.0       2.5
          79.0       1.9
          80.0       6.0
          81.0      44.1
          82.0       2.5
          92.0       1.8
          93.0       1.2
          99.0       3.2
         105.0       3.9
         106.0       3.9
         111.0       1.7
         112.0       3.8
         130.0       4.8
         131.0      70.3
         132.0       4.7
         210.0     100.0
         211.0       6.8
         212.0      97.7
         213.0       6.4
    

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C6 H2 Br F3 0.05 ml : 0.5 ml CDCl3
    5-bromo-1,2,3-trifluorobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.159

         Hz     ppm     Int.
    

       2875.85   7.196     68
       2874.27   7.192     30
       2872.44   7.188    121
       2869.75   7.181    137
       2867.80   7.176    684
       2861.57   7.161    898
       2860.96   7.159   1000
       2854.86   7.144    686
       2850.22   7.132    139
       2846.68   7.123     78
    

in CDCl3

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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