Dodecyltrimethylammonium chloride(112-00-5) MS

Product NameDodecyltrimethylammonium chloride

CAS 112-00-5

Molecular FormulaC15H34ClN

Molecular Weight263.89

InChIInChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1

InChIKey DDXLVDQZPFLQMZ-UHFFFAOYSA-M

SmilesC(CC[N+](C)(C)C)CCCCCCCCC.[Cl-]

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Mass

MS-IW-3967          
dodecyltrimethylammonium chloride
C15H34ClN           (Mass of molecular ion:    263)

   Source Temperature: 180 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      18.0       2.8
      29.0       1.7
      30.0       1.1
      41.0       3.6
      42.0       2.2
      43.0       4.9
      44.0       2.1
      45.0       2.1
      46.0       1.2
      50.0       7.7
      52.0       2.5
      55.0       3.7
      56.0       1.3
      57.0       4.2
      58.0     100.0
      59.0       6.7
      69.0       2.2
      70.0       1.0
      71.0       1.7
      83.0       1.0
      84.0       2.3
      91.0       2.5
     212.0       1.4
     213.0       5.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₃₄ Cl N	0.031 g : 0.5 ml CDCl₃
dodecyltrimethylammonium chloride

    Assign.     Shift(ppm)

      A             3.566
      B             3.466
      C             1.74
      D          1.40 to 1.28
      E             1.26
      F             0.881

     Hz     ppm     Int.

   1434.33   3.589     59
   1429.20   3.577     34
   1425.78   3.568     43
   1422.12   3.559     33
   1417.11   3.546     63
   1385.38   3.467   1000
    696.90   1.744     32
    696.53   1.743     32
    695.07   1.740     31
    539.18   1.350     77
    527.59   1.321     42
    520.26   1.302     56
    512.70   1.283     83
    501.71   1.256    667
    359.13   0.899     87
    352.42   0.882    265
    345.34   0.865    105

in CDCl3