1120-02-1

Octadecy trimethyl ammonium bromide(1120-02-1) IR2

Product NameOctadecy trimethyl ammonium bromide

CAS 1120-02-1

Molecular FormulaC21H46BrN

Molecular Weight392.5

InChIInChI=1S/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1

InChIKey SZEMGTQCPRNXEG-UHFFFAOYSA-M

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

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Octadecy trimethyl ammonium bromide(1120-02-1) IR2
Mass

MS-IW-0836          
trimethyloctadecylammonium bromide
C21H46BrN           (Mass of molecular ion:    391)

   Source Temperature: 200 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      41.0       2.0
      43.0       3.1
      45.0       1.1
      55.0       2.5
      57.0       3.3
      58.0     100.0
      59.0       4.4
      69.0       1.9
      71.0       2.2
      83.0       1.1
      84.0       2.2
      85.0       1.1
      94.0       3.4
      96.0       3.2
     296.0       1.3
     297.0       2.8

400 MHz in CDCl3

Octadecy trimethyl ammonium bromide(1120-02-1) IR2

¹H NMR	399.65 MHz
C₂₁ H₄₆ Br N	0.035 g : 0.5 ml CDCl₃
trimethyloctadecylammonium bromide

    Assign.     Shift(ppm)

      A             3.611
      B             3.485
      C             1.749
      D             1.36
      E             1.26
      F             0.880

     Hz     ppm     Int.

   1453.25   3.637     42
   1444.70   3.615     32
   1436.04   3.594     45
   1393.07   3.486    829
    542.24   1.357     58
    519.65   1.301     43
    501.95   1.256   1000
    358.40   0.897     65
    351.68   0.880    206
    344.60   0.863     78

in CDCl3