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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>1120-02-1更多圖譜> 十八烷基三甲基溴化銨(1120-02-1)紅外圖譜(IR2)

1120-02-1

十八烷基三甲基溴化銨(1120-02-1)紅外圖譜(IR2)

產(chǎn)品名稱:十八烷基三甲基溴化銨

CAS:1120-02-1

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-]

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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