雙十六烷基二甲基溴化銨(70755-47-4)核磁圖(¹HNMR)

分子式:C34H72BrN

分子量: 574.85

InChI:InChI=1S/C34H72N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-34H2,1-4H3;1H/q+1;/p-1

InChIKey: VIXPKJNAOIWFMW-UHFFFAOYSA-M

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

Mass

MS-IW-7584          
dihexadecyldimethylammonium bromide
C34H72BrN           (Mass of molecular ion:    573)

   Source Temperature: 200 °C
   Sample Temperature: 250 °C
   Direct, 75 eV

      15.0       2.9
      17.0       2.2
      18.0      12.0
      27.0       2.0
      28.0       3.5
      29.0       4.8
      30.0       1.3
      32.0       1.0
      39.0       2.2
      41.0      12.2
      42.0       6.4
      43.0      22.7
      44.0      37.8
      45.0       1.9
      53.0       1.0
      54.0       1.7
      55.0      15.1
      56.0       6.2
      57.0      30.6
      58.0      70.0
      59.0       2.9
      67.0       3.2
      68.0       2.4
      69.0      10.6
      70.0      11.0
      71.0      11.7
      72.0       1.7
      77.0       1.3
      78.0       2.5
      79.0       1.8
      80.0       1.3
      81.0       3.0
      82.0       3.5
      83.0       7.2
      84.0       8.5
      85.0       6.7
      91.0       7.6
      92.0       9.3
      93.0       2.0
      94.0       9.7
      95.0       1.9
      96.0       9.6
      97.0       5.5
      98.0       3.7
      99.0       1.7
     104.0       2.7
     105.0       2.4
     106.0       1.0
     110.0       1.8
     111.0       2.3
     112.0       2.3
     113.0       1.0
     115.0       1.1
     117.0       2.8
     125.0       1.0
     126.0       1.7
     128.0       1.2
     129.0       1.6
     133.0       1.0
     135.0       5.6
     137.0       5.2
     140.0       1.5
     149.0       1.2
     151.0       1.1
     154.0       1.3
     168.0       1.1
     182.0       1.2
     210.0       1.1
     212.0       1.0
     218.0       2.1
     252.0       2.4
     254.0       3.3
     255.0       1.7
     260.0       1.0
     264.0       3.7
     266.0      21.1
     267.0       4.9
     268.0     100.0
     269.0      19.9
     270.0       2.1
     292.0       1.4
     294.0      15.5
     295.0       3.5
     296.0       1.0
     320.0       4.9
     321.0       1.2
     346.0       1.2
     473.0       1.9
     474.0       1.1
     475.0       1.8
     476.0       1.5
     477.0       1.0
     478.0       2.5
     479.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₃₄ H₇₂ Br N	0.041 g : 0.5 ml CDCl₃
dihexadecyldimethylammonium bromide

    Assign.     Shift(ppm)

      A             3.507
      B             3.404
      C             1.71
      D             1.36
      E             1.25
      F             0.880

     Hz     ppm     Int.

   1409.91   3.528     36
   1401.37   3.507     32
   1392.94   3.486     39
   1360.47   3.405    253
    541.87   1.356     61
    527.22   1.320     32
    526.98   1.319     32
    519.90   1.301     50
    501.34   1.255   1000
    358.52   0.898     74
    351.81   0.881    248
    344.73   0.863     93

in CDCl3