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Back ChemicalBook Home>CAS DataBase List>123-03-5More Spectrum> Cetylpyridinium chloride(123-03-5) 13C NMR

123-03-5

Cetylpyridinium chloride(123-03-5) 13C NMR

Molecular FormulaC21H38ClN

Molecular Weight339.99

InChIInChI=1S/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1

InChIKey YMKDRGPMQRFJGP-UHFFFAOYSA-M

Smiles[N+]1(CCCCCCCCCCCCCCCC)C=CC=CC=1.[Cl-]

  • Cetylpyridinium chloride(123-03-5) <sup>13</sup>C NMR


        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
    Spectral Code: 1H NMR : 90 MHz in CDCl3

  • Cetylpyridinium chloride(123-03-5) <sup>13</sup>C NMR


           ppm   Int.  Assign.
    
      145.32   148      1
      145.15   157      2
      128.57   328      3
       62.08    81      4
       32.00   170      5
       31.92   371      6
       29.69  1000      7 *
       29.35   384      8 *
       29.13   149      9
       26.14   131     10
       22.67   355     11
       14.10   308     12
    Spectral Code: 13C NMR : in CDCl3

  • Cetylpyridinium chloride(123-03-5) <sup>13</sup>C NMR

    Spectral Code: IR : nujol mull

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