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Back ChemicalBook Home>CAS DataBase List>100-39-0More Spectrum> Benzyl bromide(100-39-0) 13C NMR

Benzyl bromide(100-39-0) 13C NMR

Product NameBenzyl bromide

CAS100-39-0

Molecular FormulaC7H7Br

Molecular Weight171.03

InChIInChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey AGEZXYOZHKGVCM-UHFFFAOYSA-N

SmilesC1(CBr)=CC=CC=C1


  • Mass

    MS-NW-2671          
    benzyl bromide
    C7H7Br              (Mass of molecular ion:    170)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          38.0       1.5
          39.0       5.6
          41.0       1.3
          50.0       2.1
          51.0       3.1
          52.0       1.4
          62.0       1.8
          63.0       5.0
          64.0       1.6
          65.0      12.2
          89.0       4.3
          90.0       2.5
          91.0     100.0
          92.0       8.0
         170.0       4.1
         172.0       4.0
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H7 Br 0.05 ml : 0.5 ml CDCl3
    benzyl bromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.51 to 7.09 B 4.440

         Hz     ppm     Int.
    

        664.06   7.415     23
        662.00   7.392     52
        660.63   7.377     34
        658.75   7.356     50
        657.06   7.337    203
        655.38   7.318    498
        654.25   7.306    522
        653.88   7.302    518
        651.19   7.271    174
        649.31   7.251    100
        648.00   7.236     32
        646.56   7.220     57
        641.06   7.158     23
        397.63   4.440   1000
    

in CDCl3



liquid film





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