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Cetylpyridinium chloride monohydrate

Product Name Cetylpyridinium chloride monohydrate

CAS6004-24-6

MFC21H40ClNO

MW358


  • 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
    

90 MHz in CDCl3

400 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C21 H38 Cl N 0.045 g : 0.5 ml CDCl3
    1-hexadecylpyridinium chloride
    ChemicalStructure
        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
    


  • 1H NMR 399.65 MHz
    C21 H38 Cl N 0.038 g : 0.5 ml CDCl3
    1-hexadecylpyridinium chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.546 B 8.546 C 8.202 D 4.981 E 3.2 F 2.038 G 1.33 J 1.25 K 1.22 L 0.875

         Hz     ppm     Int.
    

       3819.12   9.557    159
       3817.90   9.554    192
       3812.41   9.540    194
       3811.34   9.537    164
       3425.29   8.571     32
       3424.07   8.568     55
       3422.70   8.565     34
       3416.29   8.549    122
       3409.73   8.532     43
       3408.51   8.529     70
       3407.14   8.526     41
       3285.06   8.220    130
       3278.35   8.204    167
       3277.44   8.201    158
       3270.72   8.184    114
       1998.14   5.000    112
       1990.81   4.982    193
       1983.34   4.963    115
       1290.89   3.231    585
        821.69   2.057     60
        814.36   2.038     89
        807.19   2.020     68
        549.93   1.377     43
        541.99   1.357     73
        537.57   1.346     94
        529.63   1.326    139
        525.67   1.316    115
        522.16   1.307    103
        518.19   1.297    127
        510.71   1.278    144
        500.49   1.253   1000
        488.89   1.224    831
        356.75   0.893    170
        350.04   0.876    526
        343.02   0.859    201
    

in CDCl3



KBr disc



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