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625-92-3

3,5-二溴吡啶(625-92-3)質(zhì)譜(MS)

產(chǎn)品名稱:3,5-二溴吡啶

CAS:625-92-3

分子式:C5H3Br2N

分子量: 236.89

InChI:InChI=1S/C5H3Br2N/c6-4-1-5(7)3-8-2-4/h1-3H

InChIKey: SOSPMXMEOFGPIM-UHFFFAOYSA-N

Smiles:C1=NC=C(Br)C=C1Br

  • 圖譜
    Mass 

    MS-KW-0419          
3,5-dibromopyridine
C5H3Br2N            (Mass of molecular ion:    235)


       Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          26.0       1.0
      28.0       1.2
      37.0       2.8
      38.0       3.3
      38.5       2.8
      48.0       1.2
      49.0      10.8
      50.0      39.6
      51.0       4.5
      52.0       1.5
      75.0       4.4
      76.0      38.2
      77.0       7.0
      78.0       1.3
      79.0       1.8
     104.0       3.3
     105.0       3.7
     106.0       4.7
     108.0       1.5
     117.5       1.0
     118.5       2.1
     119.5       1.0
     128.0       3.2
     129.0      14.4
     130.0       4.1
     131.0      13.9
     156.0      52.6
     157.0       3.5
     158.0      51.1
     159.0       3.0
     235.0      51.3
     236.0       3.3
     237.0     100.0
     238.0       6.1
     239.0      48.5
     240.0       2.9

parameter in dioxane

400 MHz in CDCl3

  • 圖譜

    1H NMR 300 MHz
    C5 H3 Br2 N in dioxane
    3,5-dibromopyridine
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         8.61
      D(B)         8.15
       J(A,B)          2.0
     
     WU,T.K. J.PHYS.CHEM. 71, 3089 (1967)
  

         Hz     ppm     Int.


       2584.01   8.613    973
   2582.01   8.607   1000
   2446.99   8.157    264
   2444.99   8.150    492
   2443.00   8.143    250

  • 圖譜

    1H NMR 399.65 MHz
    C5H3Br2N 0.039 g : 0.5 ml CDCl3
    3,5-dibromopyridine
    ChemicalStructure 
        Assign.     Shift(ppm)
    
     A           8.606
     B           8.008
  

         Hz     ppm     Int.


       3441.41   8.609   1000
   3439.46   8.604    972
   3203.13   8.013    451
   3201.18   8.008    806
   3199.10   8.003    411

in CDCl3

  • 圖譜

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