氯化十六烷基吡啶单水合物(6004-24-6)核磁图(¹³CNMR)

Mass

MS-NW-8281          
1-hexadecylpyridinium chloride
C21H38ClN H2O       (Mass of molecular ion:    339)

   Source Temperature: 190 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      17.0       1.0
      18.0       4.4
      26.0       3.2
      27.0       6.9
      28.0       3.6
      29.0      17.4
      36.0       3.9
      38.0       1.9
      39.0       6.9
      40.0       1.2
      41.0      38.8
      42.0      10.4
      43.0      79.6
      44.0       2.6
      49.0       1.5
      50.0       6.6
      51.0      10.6
      52.0      26.0
      53.0       4.9
      54.0       3.3
      55.0      41.3
      56.0      16.1
      57.0     100.0
      58.0       4.5
      63.0       1.1
      67.0       4.1
      68.0       3.4
      69.0      33.5
      70.0      13.6
      71.0      58.6
      72.0       3.2
      77.0       1.3
      78.0       4.5
      79.0      38.8
      80.0       7.1
      81.0       2.4
      82.0       4.3
      83.0      21.3
      84.0       8.7
      85.0      34.5
      86.0       2.3
      91.0      45.3
      92.0       2.3
      93.0      15.4
      94.0       1.8
      95.0       1.5
      96.0       2.4
      97.0      15.8
      98.0       6.4
      99.0       8.4
     104.0       2.1
     105.0      15.0
     106.0       2.6
     107.0       5.2
     111.0       6.9
     112.0       4.3
     113.0       4.5
     119.0       6.1
     120.0       1.0
     121.0       2.0
     125.0       2.3
     126.0       2.6
     127.0       2.6
     133.0       4.6
     135.0       1.5
     140.0       1.7
     141.0       1.7
     147.0       3.6
     149.0       1.2
     155.0       1.2
     161.0       2.4
     175.0       1.8
     189.0       1.4
     203.0       1.2
     260.0       2.0
     304.0      11.5
     305.0       4.2

Assign. Shift(ppm) A 9.55 B 8.54 C 8.21 D 4.98 E 2.04 F 1.42 to 1.30 G 1.25 J 0.88 H2O INCLUDED

     Hz     ppm     Int.

    858.44   9.586     57
    853.06   9.526     58
    851.81   9.512     49
    766.56   8.560     34
    740.88   8.273     42
    734.50   8.202     49
    733.31   8.188     31
    733.00   8.185     31
    453.56   5.065     30
    446.13   4.982     53
    439.00   4.902     32
    282.94   3.160    309
    125.06   1.397     35
    124.50   1.391     37
    122.31   1.366     45
    112.13   1.253   1000
     83.44   0.932     37
     82.13   0.918     32
     81.69   0.913     30
     78.44   0.876    113