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Back ChemicalBook Home>CAS DataBase List>874-80-6More Spectrum> 1-Butylpyridinium bromide(874-80-6) IR2

1-Butylpyridinium bromide(874-80-6) IR2

Molecular FormulaC9H14BrN

Molecular Weight216.12

InChIInChI=1S/C9H14N.BrH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1

InChIKey KVBQNFMTEUEOCD-UHFFFAOYSA-M

Smiles[N+]1(CCCC)C=CC=CC=1.[Br-]


  • Mass

    MS-IW-7698          
    1-butylpyridinium bromide
    C9H14BrN            (Mass of molecular ion:    215)
    

       Source Temperature: 190 °C
       Sample Temperature: 210 °C
       Direct, 75 eV
    

          26.0       5.0
          27.0      13.7
          28.0       8.4
          29.0      23.5
          37.0       1.3
          38.0       2.6
          38.5       1.0
          39.0      12.6
          40.0       1.5
          41.0      43.5
          42.0       2.0
          43.0       3.1
          49.0       2.0
          50.0      11.1
          51.0      20.8
          52.0      62.3
          53.0       7.4
          55.0       5.9
          56.0      14.3
          57.0      89.5
          58.0       4.5
          75.0       1.5
          76.0       1.2
          78.0      13.2
          79.0     100.0
          80.0       8.5
          81.0       1.3
          82.0       3.9
         107.0       4.4
         109.0       4.2
         136.0       8.7
         138.0       8.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C9 H14 Br N 0.041 g : 0.5 ml CDCl3
    1-butylpyridinium bromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.666 B 8.623 C 8.223 D 5.038 E 2.070 F 1.442 G 0.968

         Hz     ppm     Int.
    

       3867.19   9.677    223
       3865.97   9.674    270
       3860.47   9.660    274
       3859.10   9.657    238
       3455.51   8.647     48
       3454.28   8.644     86
       3452.91   8.640     51
       3447.57   8.627     96
       3446.35   8.624    186
       3445.13   8.621     98
       3439.94   8.608     62
       3438.57   8.604    107
       3437.35   8.601     60
       3293.46   8.241    170
       3286.74   8.225    221
       3285.83   8.222    214
       3278.96   8.205    155
       2021.03   5.058    183
       2013.55   5.039    299
       2006.07   5.020    193
        842.44   2.108     50
        834.81   2.089    117
        832.37   2.083     56
        829.47   2.076     86
        827.33   2.071    187
        824.58   2.064     83
        819.70   2.052    125
        812.07   2.032     58
        596.01   1.492     30
        588.53   1.473    112
        581.05   1.454    168
        573.12   1.435    174
        565.64   1.416    119
        558.32   1.398     36
        394.13   0.987    476
        386.81   0.968   1000
        379.49   0.950    422
    

in CDCl3



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1-Butylpyridinium bromide(874-80-6) IR2 Atlas of Related Products

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