100-94-7

二芐基二甲基氯化銨(100-94-7)紅外圖譜(IR1)

產(chǎn)品名稱:二芐基二甲基氯化銨

CAS:100-94-7

分子式:C16H20N.Cl

分子量: 261.79

InChI:InChI=1S/C16H20N.ClH/c1-17(2,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1

InChIKey: LCXAARCEIWRIMU-UHFFFAOYSA-M

Smiles:C1(C=CC=CC=1)C[N+](C)(C)CC1C=CC=CC=1.[Cl-]

Mass

MS-NW-7178          
dibenzyldimethylammonium chloride
C16H20ClN H2O       (Mass of molecular ion:    261)

   Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       1.7
      17.0       2.0
      18.0       8.6
      27.0       1.3
      30.0       2.9
      38.0       1.8
      39.0       9.0
      40.0       1.0
      41.0       2.7
      42.0      10.2
      43.0       1.8
      44.0       5.8
      45.0       2.0
      50.0       3.7
      51.0       5.4
      52.0       1.6
      57.0       2.3
      58.0      58.9
      59.0       2.5
      61.0       1.1
      62.0       2.8
      63.0       7.0
      64.0       2.1
      65.0      14.5
      66.0       1.0
      77.0       2.0
      89.0       5.8
      90.0       2.5
      91.0     100.0
      92.0      11.2
     118.0       2.1
     120.0       1.4
     125.0       1.9
     126.0      14.7
     127.0       1.9
     128.0       4.9
     132.0       1.3
     134.0      20.0
     135.0      28.2
     136.0       2.9
     211.0       2.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₆ H₂₀ Cl N	0.042 g : 0.5 ml CDCl₃
dibenzyldimethylammonium chloride

    Assign.     Shift(ppm)

      A             7.65
      B          7.45 to 7.290
      C             5.082
      D             3.093
      E             3.1
     
     E-PEAK INCLUDES H2O.

     Hz     ppm     Int.

    691.44   7.721    122
    689.19   7.696    163
    685.63   7.656    199
    681.81   7.613    231
    667.13   7.449     87
    663.38   7.408    456
    661.38   7.385    405
    658.00   7.348    236
    656.56   7.331    221
    655.19   7.316    152
    653.75   7.300     70
    652.75   7.289     72
    455.25   5.084    466
    280.69   3.135   1000
    277.06   3.094    698
    270.31   3.019     73
    269.63   3.011     65
    269.19   3.006     57
    268.81   3.002     58

in CDCl3