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返回ChemicalBook首页>CAS数据库列表>68105-02-2更多图谱> 双十四烷基二甲基溴化铵(68105-02-2)红外图谱(IR2)

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-]

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    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

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

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KBr disc

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nujol mull

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