874-80-6

丁基溴化吡啶(874-80-6)質(zhì)譜(MS)

產(chǎn)品名稱:丁基溴化吡啶

CAS:874-80-6

分子式:C9H14BrN

分子量: 216.12

InChI:InChI=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

    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