Dimethyldioctadecylammonium bromide(3700-67-2) MS

Product NameDimethyldioctadecylammonium bromide

Molecular FormulaC38H80BrN

Molecular Weight630.95

InChIInChI=1S/C38H80N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1

InChIKey PSLWZOIUBRXAQW-UHFFFAOYSA-M

SmilesC(CCCCCCCCCCCCCCCCC)[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]

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Dimethyldioctadecylammonium bromide(3700-67-2) MS
Mass

MS-NW-9772          
dimethyldioctadecylammonium bromide
C38H80BrN           (Mass of molecular ion:    629)

   Source Temperature: 190 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       1.6
      29.0       1.5
      41.0       4.5
      42.0       1.7
      43.0       9.5
      44.0      18.2
      55.0       6.4
      56.0       2.1
      57.0      14.7
      58.0      46.4
      59.0       1.8
      67.0       1.3
      68.0       1.4
      69.0       4.9
      70.0       3.6
      71.0       6.6
      72.0       1.4
      81.0       1.2
      82.0       1.4
      83.0       3.5
      84.0       3.3
      85.0       3.7
      91.0       1.3
      92.0       1.9
      94.0       4.0
      96.0       3.8
      97.0       2.6
      98.0       1.3
      99.0       1.2
     111.0       1.1
     135.0       2.7
     137.0       2.6
     268.0       2.5
     282.0       1.8
     283.0       1.6
     294.0       5.2
     295.0       1.3
     296.0     100.0
     297.0      23.0
     298.0       2.6
     322.0       1.9
     534.0       1.5

400 MHz in CDCl3

Dimethyldioctadecylammonium bromide(3700-67-2) MS

¹H NMR	399.65 MHz
C₃₈ H₈₀ Br N	0.030 g : 0.5 ml CDCl₃
dimethyldioctadecylammonium bromide

    Assign.     Shift(ppm)

      A             3.526
      B             3.433
      C             1.698
      D             1.36
      E             1.26
      F             0.879

     Hz     ppm     Int.

   1418.58   3.550     31
   1401.61   3.508     32
   1372.07   3.434    201
    542.72   1.358     56
    542.36   1.358     56
    526.86   1.319     35
    526.61   1.318     35
    525.63   1.316     34
    519.78   1.301     52
    502.08   1.257   1000
    358.40   0.897     66
    351.68   0.880    206
    344.73   0.863     79

in CDCl3