4368-51-8

四庚基溴化铵(4368-51-8)质谱(MS)

分子式:C28H60BrN

分子量: 490.69

InChI:InChI=1S/C28H60N.BrH/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1

InChIKey: YQIVQBMEBZGFBY-UHFFFAOYSA-M

Smiles:[N+](CCCCCCC)(CCCCCCC)(CCCCCCC)CCCCCCC.[Br-]

Mass

MS-NW-7187          
tetraheptylammonium bromide
C28H60BrN           (Mass of molecular ion:    489)

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

      18.0       3.3
      27.0       3.7
      28.0       1.0
      29.0       7.3
      30.0       2.2
      39.0       2.4
      41.0      13.6
      42.0       4.8
      43.0      15.5
      44.0       5.1
      55.0      10.3
      56.0       4.0
      57.0      23.7
      58.0       4.9
      69.0       3.7
      70.0       2.5
      84.0       2.2
      98.0       4.2
     112.0       3.0
     126.0       1.0
     128.0       2.0
     135.0       6.0
     137.0       6.0
     140.0       3.3
     142.0      11.3
     143.0       1.2
     212.0       1.1
     224.0       2.9
     226.0     100.0
     227.0      17.2
     228.0       1.4
     252.0       2.0
     310.0       1.8
     311.0       2.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₈ H₆₀ Br N	0.046 g : 0.5 ml CDCl₃
tetraheptylammonium bromide

    Assign.     Shift(ppm)

      A             3.37
      B             1.69
      C             1.34
      D             0.89

     Hz     ppm     Int.

    311.56   3.479    128
    311.06   3.474    127
    310.69   3.470    127
    310.00   3.462    126
    309.00   3.451    129
    308.63   3.447    134
    308.25   3.442    137
    305.63   3.413    167
    305.25   3.409    168
    304.56   3.401    165
    304.19   3.397    166
    303.56   3.390    162
    303.19   3.386    154
    302.81   3.382    155
    301.31   3.365    146
    300.69   3.358    149
    300.38   3.354    149
    299.50   3.345    150
    299.19   3.341    149
    298.44   3.333    145
    297.81   3.326    146
    295.50   3.300    172
    155.38   1.735    134
    154.94   1.731    133
    154.25   1.723    136
    153.69   1.717    138
    152.50   1.703    144
    151.94   1.697    146
    150.75   1.684    145
    150.31   1.679    146
    150.00   1.675    146
    149.69   1.672    146
    149.13   1.666    145
    148.63   1.660    145
    148.31   1.656    146
    147.75   1.650    144
    147.25   1.645    143
    146.94   1.641    142
    146.56   1.637    142
    145.81   1.629    143
    145.38   1.624    144
    144.69   1.616    142
    144.13   1.610    142
    143.31   1.601    145
    142.75   1.594    144
    142.38   1.590    144
    141.81   1.584    143
    141.25   1.578    141
    140.94   1.574    140
    140.25   1.566    136
    139.75   1.561    136
    139.38   1.557    136
    138.88   1.551    137
    138.63   1.548    137
    138.31   1.545    140
    137.81   1.539    142
    137.00   1.530    145
    136.69   1.527    146
    136.25   1.522    152
    134.94   1.507    165
    134.00   1.497    178
    132.38   1.479    213
    130.94   1.463    241
    119.13   1.331   1000
     84.69   0.946    282
     83.50   0.933    272
     82.50   0.922    283
     79.38   0.887    769
     74.75   0.835    175
     73.31   0.819    190
     70.06   0.783     84

in CDCl3