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4-Cyanobenzyl bromide

Product Name 4-Cyanobenzyl bromide

CAS17201-43-3

MFC8H6BrN

MW196.04

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  • Mass 

    MS-IW-7460          
alpha-bromo-p-tolunitrile
C8H6BrN             (Mass of molecular ion:    195)


       Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV


          38.0       1.2
      39.0       3.1
      50.0       2.0
      51.0       1.8
      57.5       1.8
      58.0       1.6
      61.0       1.0
      62.0       2.5
      63.0       4.7
      64.0       1.9
      88.0       2.3
      89.0      14.2
      90.0       3.2
     114.0       1.3
     115.0       1.6
     116.0     100.0
     117.0       9.4
     195.0       7.0
     197.0       6.8

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H6 Br N 0.033 g : 0.5 ml CDCl3
    alpha-bromo-p-tolunitrile
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.63
      B             7.50
      C             4.478
  

         Hz     ppm     Int.


        689.63   7.701    174
    688.81   7.692    125
    687.50   7.677     89
    686.31   7.664     38
    685.56   7.655     43
    683.31   7.630    155
    681.06   7.605    610
    674.75   7.535    560
    672.50   7.509    135
    670.63   7.489     46
    670.31   7.485     47
    668.31   7.463     86
    666.19   7.439    151
    401.13   4.479   1000
    397.25   4.436     31
    396.88   4.432     28

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder



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