Didecyldimethylammonium bromide(2390-68-3) ¹³C NMR

Product NameDidecyldimethylammonium bromide

CAS 2390-68-3

Molecular FormulaC22H48BrN

Molecular Weight406.53

InChIInChI=1S/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1

InChIKey UMGXUWVIJIQANV-UHFFFAOYSA-M

SmilesC(CCCCCCCCC)[N+](C)(C)CCCCCCCCCC.[Br-]

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Mass

MS-IW-7582          
didecyldimethylammonium bromide
C22H48BrN           (Mass of molecular ion:    405)

   Source Temperature: 180 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      15.0       1.8
      18.0       4.7
      27.0       1.1
      28.0       1.4
      29.0       2.3
      39.0       1.0
      41.0       5.6
      42.0       3.2
      43.0       9.3
      44.0       9.4
      55.0       6.1
      56.0       2.4
      57.0       8.4
      58.0      38.9
      59.0       1.5
      69.0       3.6
      70.0       3.4
      71.0       3.1
      83.0       1.8
      84.0       3.4
      85.0       2.2
      93.0       1.1
      94.0       6.7
      96.0       6.3
      97.0       1.1
      98.0       1.3
     135.0       3.9
     137.0       3.8
     170.0       1.5
     182.0       5.8
     183.0       1.0
     184.0     100.0
     185.0      14.7
     186.0       1.0
     210.0       7.2
     211.0       1.2
     236.0       2.0
     310.0       1.9
     311.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₂ H₄₈ Br N	0.042 g : 0.5 ml CDCl₃
didecyldimethylammonium bromide

    Assign.     Shift(ppm)

      A             3.528
      B             3.404
      C             1.710
      D             1.36
      E             1.30
      F             1.26
      G             0.880

     Hz     ppm     Int.

   1418.82   3.551    118
   1413.70   3.538     84
   1410.28   3.529    101
   1406.74   3.520     84
   1401.73   3.508    128
   1360.72   3.405    830
    690.80   1.729     62
    689.94   1.727     61
    684.08   1.712     85
    676.27   1.693     71
    675.90   1.692     71
    667.72   1.671     33
    543.46   1.360    184
    533.69   1.336     82
    526.37   1.318     95
    524.54   1.313     87
    518.92   1.299    150
    503.54   1.260   1000
    359.01   0.899    233
    352.29   0.882    721
    345.21   0.864    292

in CDCl3