雙十二烷基二甲基溴化銨(3282-73-3)核磁圖(¹HNMR)

分子式:C26H56BrN

分子量: 462.63

InChI:InChI=1S/C26H56N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1

InChIKey: XRWMGCFJVKDVMD-UHFFFAOYSA-M

Smiles:[N+](C)(C)(CCCCCCCCCCCC)CCCCCCCCCCCC.[Br-]

Mass

MS-NW-9770          
didodecyldimethylammonium bromide
C26H56BrN           (Mass of molecular ion:    461)

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

      18.0       1.4
      29.0       1.1
      41.0       2.8
      42.0       1.1
      43.0       4.8
      44.0       6.5
      55.0       3.2
      57.0       5.0
      58.0      27.4
      59.0       1.1
      69.0       2.0
      70.0       1.6
      71.0       2.0
      83.0       1.0
      84.0       1.8
      94.0       2.1
      96.0       2.0
     135.0       1.8
     137.0       1.8
     198.0       1.3
     199.0       1.1
     210.0       4.7
     212.0     100.0
     213.0      16.7
     214.0       1.3
     238.0       3.6
     366.0       1.5
     367.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₆ H₅₆ Br N	0.038 g : 0.5 ml CDCl₃
didodecyldimethylammonium bromide

    Assign.     Shift(ppm)

      A             3.538
      B             3.425
      C             1.70
      D             1.36
      E             1.30
      F             1.26
      G             0.881

     Hz     ppm     Int.

   1422.97   3.561     65
   1417.60   3.548     50
   1414.55   3.540     57
   1411.13   3.531     48
   1406.01   3.519     67
   1368.90   3.426    413
    688.35   1.723     37
    682.37   1.708     49
    675.42   1.691     40
    674.80   1.689     41
    543.09   1.359    108
    527.22   1.320     65
    520.26   1.302     85
    502.32   1.257   1000
    359.38   0.900    133
    352.66   0.883    355
    345.70   0.866    152

in CDCl3