23616-79-7

苄基三丁基氯化铵(23616-79-7)核磁图(¹³CNMR)

分子式:C19H34ClN

分子量: 311.93

InChI:InChI=1S/C19H34N.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1

InChIKey: VJGNLOIQCWLBJR-UHFFFAOYSA-M

Smiles:[N+](CCCC)(CCCC)(CCCC)CC1=CC=CC=C1.[Cl-]

Mass

MS-IW-1420          
benzyltributylammonium chloride
C19H34ClN           (Mass of molecular ion:    311)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      29.0       3.2
      30.0       1.9
      39.0       2.5
      41.0       3.6
      42.0       1.9
      43.0       1.2
      44.0       2.9
      45.0       1.1
      51.0       1.3
      55.0       1.1
      56.0       1.3
      57.0       3.2
      58.0       2.7
      62.0       1.1
      63.0       3.0
      65.0       6.0
      84.0       1.8
      86.0       2.1
      89.0       3.5
      90.0       1.2
      91.0      72.3
      92.0       6.3
      98.0       2.4
     100.0      26.6
     101.0       1.9
     125.0       2.7
     126.0      25.3
     127.0       2.8
     128.0       8.4
     140.0       1.5
     142.0     100.0
     143.0      10.7
     176.0       5.5
     184.0       1.3
     185.0       8.7
     186.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₉ H₃₄ Cl N	0.040 g : 0.5 ml CDCl₃
benzyltributylammonium chloride

    Assign.     Shift(ppm)

      A             7.550
      B             7.473
      C             7.436
      D             4.914
      E             3.343
      F             1.793
      G             1.413
      J             0.987

     Hz     ppm     Int.

   3022.46   7.563    105
   3015.99   7.547    134
   3014.28   7.543    119
   2989.99   7.482     70
   2984.62   7.469     50
   2983.03   7.465     80
   2981.45   7.461     46
   2978.03   7.452    137
   2972.53   7.438     67
   2970.83   7.434    128
   2964.11   7.417     41
   1964.11   4.915    276
   1345.21   3.366    171
   1339.97   3.353    115
   1336.79   3.345    142
   1333.50   3.337    112
   1333.25   3.337    112
   1328.13   3.324    185
    731.93   1.832     43
    724.37   1.813     94
    719.97   1.802    101
    715.94   1.792    139
    712.04   1.782    103
    708.13   1.772    110
    699.95   1.752     54
    576.29   1.442    122
    568.97   1.424    221
    561.52   1.406    227
    554.08   1.387    130
    546.88   1.369     34
    401.86   1.006    504
    394.53   0.988   1000
    387.08   0.969    436

in CDCl3