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十八烷基三甲基溴化铵(1120-02-1)红外图谱(IR2)

分子式:C21H46BrN

分子量: 392.5

InChI:InChI=1S/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1

InChIKey: SZEMGTQCPRNXEG-UHFFFAOYSA-M

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


  • Mass

    MS-IW-0836          
    trimethyloctadecylammonium bromide
    C21H46BrN           (Mass of molecular ion:    391)
    

       Source Temperature: 200 °C
       Sample Temperature: 210 °C
       Direct, 75 eV
    

          41.0       2.0
          43.0       3.1
          45.0       1.1
          55.0       2.5
          57.0       3.3
          58.0     100.0
          59.0       4.4
          69.0       1.9
          71.0       2.2
          83.0       1.1
          84.0       2.2
          85.0       1.1
          94.0       3.4
          96.0       3.2
         296.0       1.3
         297.0       2.8
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C21 H46 Br N 0.035 g : 0.5 ml CDCl3
    trimethyloctadecylammonium bromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.611 B 3.485 C 1.749 D 1.36 E 1.26 F 0.880

         Hz     ppm     Int.
    

       1453.25   3.637     42
       1444.70   3.615     32
       1436.04   3.594     45
       1393.07   3.486    829
        542.24   1.357     58
        519.65   1.301     43
        501.95   1.256   1000
        358.40   0.897     65
        351.68   0.880    206
        344.60   0.863     78
    

in CDCl3



KBr disc



nujol mull



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