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Back ChemicalBook Home>CAS DataBase List>615-59-8More Spectrum> 2,5-Dibromotoluene(615-59-8) IR1

2,5-Dibromotoluene(615-59-8) IR1

Product Name2,5-Dibromotoluene

CAS615-59-8

Molecular FormulaC7H6Br2

Molecular Weight249.93

InChIInChI=1S/C7H6Br2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

InChIKey QKEZTJYRBHOKHH-UHFFFAOYSA-N

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


  • Mass

    MS-NW-9919          
    2,5-dibromotoluene
    C7H6Br2             (Mass of molecular ion:    248)
    

       Source Temperature: 260 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          37.0       1.8
          38.0       3.4
          39.0       8.2
          43.0       2.6
          44.0       8.6
          44.5       1.1
          45.0       1.4
          49.0       1.2
          50.0       4.7
          51.0       4.2
          61.0       3.5
          62.0       9.0
          63.0      19.8
          64.0       4.2
          74.0       3.5
          75.0       2.3
          84.0       5.3
          84.5       3.3
          85.0       6.4
          85.5       2.9
          86.0       3.6
          87.0       3.0
          88.0       2.5
          89.0      37.9
          90.0      40.3
          91.0       3.0
         117.0       1.6
         119.0       1.6
         124.0       1.2
         125.0       2.4
         126.0       1.2
         143.0       1.4
         168.0       5.3
         169.0      56.5
         170.0       9.5
         171.0      54.7
         172.0       4.2
         247.0       1.5
         248.0      51.1
         249.0       6.9
         250.0     100.0
         251.0       9.1
         252.0      48.7
         253.0       3.8
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H6 Br2 0.05 ml : 0.5 ml CDCl3
    2,5-dibromotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.317 B 7.315 C 7.117 D 2.320 J(A,C)=8.4HZ J(B,C)=2.4HZ J(B,D)=-0.7HZ J(C,D)=-0.5HZ

         Hz     ppm     Int.
    

       2928.96   7.329    325
       2925.17   7.320    249
       2924.44   7.318    246
       2922.73   7.314    262
       2922.00   7.312    262
       2920.41   7.308    389
       2849.85   7.131    166
       2849.37   7.130    158
       2847.41   7.125    156
       2846.92   7.124    148
       2841.43   7.110    139
       2840.82   7.109    135
       2838.99   7.104    133
       2838.38   7.103    127
        927.25   2.321   1000
    

in CDCl3



liquid film



4880 A,200 M,liquid



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