Hexadecyl trimethyl ammonium bromide(57-09-0) ¹³C NMR

Product NameHexadecyl trimethyl ammonium bromide

CAS 57-09-0

Molecular FormulaC19H42BrN

Molecular Weight364.45

InChIInChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1

InChIKey LZZYPRNAOMGNLH-UHFFFAOYSA-M

SmilesC(CC[N+](C)(C)C)CCCCCCCCCCCCC.[Br-]

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Mass

MS-NW-8247          
hexadecyltrimethylammonium bromide
C19H42BrN           (Mass of molecular ion:    363)

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

      15.0       1.7
      29.0       2.1
      41.0       4.5
      42.0       2.1
      43.0       5.7
      44.0       1.6
      45.0       1.3
      46.0       1.1
      55.0       3.8
      56.0       1.2
      57.0       3.5
      58.0     100.0
      59.0       4.0
      69.0       1.8
      71.0       1.6
      84.0       1.4
      94.0       2.8
      96.0       2.6
     268.0       1.0
     269.0       2.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₉ H₄₂ Br N	0.039 g : 0.5 ml CDCl₃
hexadecyltrimethylammonium bromide

    Assign.     Shift(ppm)

      A             3.64
      B             3.482
      C             1.77
      D             1.26
      E             0.88

     Hz     ppm     Int.

    315.50   3.523     31
    315.38   3.522     31
    311.88   3.483    452
    120.06   1.341     52
    112.56   1.257   1000
     83.69   0.935     22
     78.69   0.879     68

in CDCl3