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返回ChemicalBook首页>CAS数据库列表>2390-68-3更多图谱> 双十烷基二甲基溴化铵(2390-68-3)红外图谱(IR1)

2390-68-3

双十烷基二甲基溴化铵(2390-68-3)红外图谱(IR1)

分子式:C22H48BrN

分子量: 406.53

InChI:InChI=1S/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1

InChIKey: UMGXUWVIJIQANV-UHFFFAOYSA-M

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

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    Mass

    MS-IW-7582          
    didecyldimethylammonium bromide
    C22H48BrN           (Mass of molecular ion:    405)
    

       Source Temperature: 180 °C
       Sample Temperature: 220 °C
       Direct, 75 eV
    

          15.0       1.8
          18.0       4.7
          27.0       1.1
          28.0       1.4
          29.0       2.3
          39.0       1.0
          41.0       5.6
          42.0       3.2
          43.0       9.3
          44.0       9.4
          55.0       6.1
          56.0       2.4
          57.0       8.4
          58.0      38.9
          59.0       1.5
          69.0       3.6
          70.0       3.4
          71.0       3.1
          83.0       1.8
          84.0       3.4
          85.0       2.2
          93.0       1.1
          94.0       6.7
          96.0       6.3
          97.0       1.1
          98.0       1.3
         135.0       3.9
         137.0       3.8
         170.0       1.5
         182.0       5.8
         183.0       1.0
         184.0     100.0
         185.0      14.7
         186.0       1.0
         210.0       7.2
         211.0       1.2
         236.0       2.0
         310.0       1.9
         311.0       2.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C22 H48 Br N 0.042 g : 0.5 ml CDCl3
    didecyldimethylammonium bromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.528 B 3.404 C 1.710 D 1.36 E 1.30 F 1.26 G 0.880

         Hz     ppm     Int.
    

       1418.82   3.551    118
       1413.70   3.538     84
       1410.28   3.529    101
       1406.74   3.520     84
       1401.73   3.508    128
       1360.72   3.405    830
        690.80   1.729     62
        689.94   1.727     61
        684.08   1.712     85
        676.27   1.693     71
        675.90   1.692     71
        667.72   1.671     33
        543.46   1.360    184
        533.69   1.336     82
        526.37   1.318     95
        524.54   1.313     87
        518.92   1.299    150
        503.54   1.260   1000
        359.01   0.899    233
        352.29   0.882    721
        345.21   0.864    292
    

in CDCl3

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KBr disc

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nujol mull

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