68105-02-2

双十四烷基二甲基溴化铵(68105-02-2)红外图谱(IR2)

分子式:C30H64BrN

分子量: 518.74

InChI:InChI=1S/C30H64N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1

InChIKey: IRMGVPILCPGYNQ-UHFFFAOYSA-M

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

Mass

MS-IW-7583          
dimethylditetradecylammonium bromide
C30H64BrN           (Mass of molecular ion:    517)

   Source Temperature: 190 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      15.0       1.1
      18.0       3.0
      29.0       1.9
      41.0       4.9
      42.0       2.5
      43.0       9.6
      44.0      17.5
      55.0       6.2
      56.0       2.2
      57.0      13.2
      58.0      35.4
      59.0       1.5
      67.0       1.1
      69.0       4.4
      70.0       4.5
      71.0       4.9
      78.0       1.0
      82.0       1.2
      83.0       2.8
      84.0       4.4
      85.0       2.5
      91.0       1.7
      92.0       1.7
      94.0       5.3
      96.0       5.1
      97.0       1.8
      98.0       1.6
     135.0       3.8
     137.0       3.7
     226.0       1.7
     227.0       1.1
     236.0       1.2
     238.0      11.4
     239.0       2.3
     240.0     100.0
     241.0      18.7
     242.0       1.7
     266.0       8.9
     267.0       1.8
     292.0       1.9
     422.0       3.0
     423.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₃₀ H₆₄ Br N	0.040 g : 0.5 ml CDCl₃
dimethylditetradecylammonium bromide

    Assign.     Shift(ppm)

      A             3.529
      B             3.421
      C             1.71
      D             1.36
      E             1.26
      F             0.881

     Hz     ppm     Int.

   1419.68   3.553     43
   1414.43   3.540     32
   1414.06   3.539     32
   1411.25   3.532     38
   1407.84   3.523     32
   1407.59   3.523     32
   1402.59   3.510     46
   1367.43   3.422    301
    681.40   1.705     32
    680.42   1.703     32
    679.20   1.700     31
    542.72   1.358     71
    542.24   1.357     71
    532.84   1.334     34
    527.95   1.322     39
    527.59   1.321     39
    525.76   1.316     35
    520.39   1.303     57
    501.59   1.256   1000
    359.01   0.899     90
    352.29   0.882    299
    345.21   0.864    113

in CDCl3