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Back ChemicalBook Home>CAS DataBase List>445-01-2More Spectrum> 5-Bromo-2-chlorobenzotrifluoride(445-01-2) 13C NMR

5-Bromo-2-chlorobenzotrifluoride(445-01-2) 13C NMR

Molecular FormulaC7H3BrClF3

Molecular Weight259.45

InChIInChI=1S/C7H3BrClF3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H

InChIKey XGOCKBMEZPNDPJ-UHFFFAOYSA-N

SmilesC1(Cl)=CC=C(Br)C=C1C(F)(F)F


  • Mass

    MS-IW-1262          
    5-bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene
    C7H3BrClF3          (Mass of molecular ion:    258)
    

       Source Temperature: 240 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          37.0       1.5
          38.0       1.1
          49.0       1.0
          50.0       3.6
          61.0       1.0
          62.0       2.7
          69.0       4.8
          73.0       2.7
          74.0      10.1
          75.0      11.2
          80.0       2.0
          84.0       1.3
          85.0       1.5
          89.5       3.8
          90.5       1.2
          93.0       2.8
          94.0       3.1
          99.0       2.7
         109.0       2.6
         110.0       1.8
         111.0       1.2
         119.0       1.0
         120.5       1.1
         123.0       1.3
         125.0       6.6
         129.0       4.4
         130.0       1.6
         131.0       1.4
         143.0       7.5
         144.0      14.7
         145.0       1.6
         159.0       2.3
         160.0       1.6
         161.0       1.0
         179.0      46.0
         180.0       4.7
         181.0      15.2
         182.0       1.4
         208.0       2.7
         210.0       3.5
         223.0       6.4
         225.0       6.4
         239.0       6.1
         241.0       8.0
         243.0       2.0
         258.0      77.0
         259.0       6.3
         260.0     100.0
         261.0       7.8
         262.0      24.5
         263.0       1.9
    

in CDCl3

400 MHz in CDCl3




  • 1H NMR 399.65 MHz
    C7 H3 Br Cl F3 0.05 ml : 0.5 ml CDCl3
    5-bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.802 B 7.573 C 7.350

         Hz     ppm     Int.
    

       3119.26   7.805    971
       3116.94   7.800   1000
       3032.59   7.589    505
       3031.98   7.587    481
       3030.15   7.583    492
       3029.66   7.581    446
       3027.10   7.575     49
       3024.05   7.567    608
       3023.44   7.566    576
       3021.61   7.561    584
       3021.12   7.560    534
       2941.65   7.361    911
       2933.11   7.340    756
       2932.50   7.338    743
    

in CDCl3



liquid film





5-Bromo-2-chlorobenzotrifluoride(445-01-2) 13C NMR Atlas of Related Products

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