866-97-7

四戊基溴化铵(866-97-7)核磁图(¹HNMR)

产品名称:四戊基溴化铵

CAS:866-97-7

分子式:C20H44BrN

分子量: 378.48

InChI:InChI=1S/C20H44N.BrH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1

InChIKey: SPALIFXDWQTXKS-UHFFFAOYSA-M

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

Mass

MS-NW-9111          
tetrapentylammonium bromide
C20H44BrN           (Mass of molecular ion:    377)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      18.0       5.7
      27.0       4.7
      28.0       1.9
      29.0       7.8
      30.0       4.6
      39.0       2.3
      41.0      12.4
      42.0       8.8
      43.0      38.0
      44.0       8.6
      55.0       6.7
      56.0       1.3
      57.0       1.7
      58.0       7.0
      69.0       1.9
      70.0       2.0
      71.0      20.5
      72.0       1.2
      84.0       3.2
      98.0       1.1
     100.0       2.6
     112.0       3.2
     114.0      37.1
     115.0       3.1
     156.0       1.1
     170.0     100.0
     171.0      12.6
     227.0       3.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₀ H₄₄ Br N	0.046 g : 0.5 ml CDCl₃
tetrapentylammonium bromide

    Assign.     Shift(ppm)

      A             3.38
      B             1.71
      C          1.59 to 1.18
      D             0.93

     Hz     ppm     Int.

    312.06   3.485    214
    311.69   3.481    202
    310.31   3.465    172
    309.88   3.461    160
    309.38   3.455    166
    309.06   3.451    166
    306.81   3.426    232
    306.13   3.419    241
    305.06   3.407    259
    304.75   3.403    262
    304.44   3.400    254
    301.94   3.372    202
    301.38   3.366    204
    300.69   3.358    215
    300.31   3.354    216
    299.88   3.349    209
    299.06   3.340    192
    298.44   3.333    186
    298.00   3.328    191
    295.75   3.303    326
    160.19   1.789    137
    159.56   1.782    136
    159.19   1.778    141
    158.75   1.773    143
    158.13   1.766    150
    157.00   1.754    157
    156.56   1.749    165
    155.88   1.741    173
    155.44   1.736    175
    155.06   1.732    183
    154.69   1.728    181
    154.38   1.724    178
    153.81   1.718    180
    153.19   1.711    182
    152.63   1.705    184
    152.06   1.698    185
    151.63   1.694    188
    151.19   1.689    187
    150.81   1.684    186
    150.25   1.678    185
    149.63   1.671    185
    148.88   1.663    180
    147.94   1.652    176
    146.94   1.641    171
    146.50   1.636    177
    145.81   1.629    175
    145.38   1.624    176
    145.00   1.620    179
    143.81   1.606    192
    143.31   1.601    188
    142.75   1.594    180
    141.69   1.583    169
    141.13   1.576    165
    140.06   1.564    163
    139.63   1.560    164
    138.75   1.550    171
    138.19   1.543    173
    137.19   1.532    172
    136.06   1.520    170
    134.13   1.498    223
    129.88   1.451    567
    127.44   1.423    588
    123.56   1.380    669
    117.00   1.307    297
    112.31   1.255    119
    111.56   1.246    108
    110.81   1.238     95
    110.38   1.233     91
     92.25   1.031    104
     88.38   0.987    390
     86.31   0.964    326
     86.00   0.961    331
     82.69   0.924   1000
     77.06   0.861    313
     73.88   0.825    147
     73.25   0.818    133

in CDCl3