3204-68-0

二甲基苄基苯基氯化铵(3204-68-0)红外图谱(IR1)

产品名称:二甲基苄基苯基氯化铵

CAS:3204-68-0

分子式:C15H18ClN

分子量: 247.76

InChI:InChI=1S/C15H18N.ClH/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;/h3-12H,13H2,1-2H3;1H/q+1;/p-1

InChIKey: QLRKASHXFNIPLZ-UHFFFAOYSA-M

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

Mass

MS-IW-9859          
benzyldimethylphenylammonium chloride
C15H18ClN           (Mass of molecular ion:    247)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       1.0
      27.0       1.8
      28.0       9.7
      36.0       5.0
      37.0       1.0
      38.0       3.4
      39.0       7.7
      41.0       1.6
      42.0       5.9
      43.0       1.6
      44.0       3.5
      45.0       3.2
      45.5       1.0
      50.0       6.1
      51.0      10.5
      52.0       4.2
      60.0       2.5
      60.5       5.2
      61.0       1.5
      62.0       2.5
      63.0       6.8
      64.0       2.3
      65.0      11.7
      66.0       1.0
      74.0       1.3
      75.0       1.1
      76.0       1.4
      77.0      19.5
      78.0       5.8
      79.0       4.0
      89.0       4.6
      90.0       2.3
      91.0      92.7
      92.0      11.7
      93.0       2.4
      94.0       1.0
     103.0       3.5
     104.0       9.8
     105.0      12.1
     106.0       3.6
     118.0       4.1
     119.0       1.8
     120.0     100.0
     121.0      69.5
     122.0       6.1
     125.0       2.5
     126.0      19.6
     127.0       2.4
     128.0       6.4
     129.0       1.0
     196.0       1.5
     197.0       4.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₁₈ Cl N	0.040 g : 0.5 ml CDCl₃
benzyldimethylphenylammonium chloride

    Assign.     Shift(ppm)

      A             7.863
      B             7.526
      C             7.459
      D             7.251
      E             7.114
      F             7.075
      G             5.573
      J             3.930

     Hz     ppm     Int.

   3148.07   7.878    132
   3146.97   7.875    174
   3140.50   7.859    104
   3139.16   7.855    181
   3138.31   7.853    182
   3016.72   7.549     68
   3015.63   7.546     89
   3013.79   7.542     41
   3011.72   7.536     35
   3008.54   7.528    182
   3000.24   7.508    138
   2986.82   7.474    106
   2981.45   7.461     40
   2979.61   7.456    138
   2972.17   7.437     40
   2906.37   7.273     49
   2904.79   7.269     32
   2901.12   7.260     41
   2899.05   7.254    107
   2897.22   7.250     47
   2893.43   7.240     45
   2891.85   7.236     80
   2890.38   7.233     47
   2851.81   7.136    104
   2850.10   7.132     55
   2843.75   7.116    231
   2838.50   7.103     56
   2836.30   7.097    217
   2830.44   7.083    222
   2829.10   7.079    257
   2824.10   7.067     47
   2822.27   7.062    118
   2820.68   7.058     86
   2227.42   5.574    404
   1570.80   3.931   1000

in CDCl3