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140-72-7

N-十六烷基吡啶溴盐(140-72-7)红外图谱(IR3)

分子式:C21H38BrN

分子量: 384.44

InChI:InChI=1S/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1

InChIKey: DVBJBNKEBPCGSY-UHFFFAOYSA-M

Smiles:[N+]1(CCCCCCCCCCCCCCCC)C=CC=CC=1.[Br-]

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    Mass

    MS-NW-0430          
    1-hexadecylpyridinium bromide
    C21H38BrN           (Mass of molecular ion:    383)
    

       Source Temperature: 210 °C
       Sample Temperature: 220 °C
       Direct, 75 eV
    

          26.0       5.3
          27.0      16.0
          28.0       5.1
          29.0      31.8
          37.0       1.7
          38.0       1.6
          39.0      14.0
          40.0       2.6
          41.0      76.6
          42.0      18.0
          43.0     100.0
          44.0       3.4
          49.0       2.5
          50.0      11.0
          51.0      14.6
          52.0      25.9
          53.0       8.0
          54.0       6.4
          55.0      71.7
          56.0      21.2
          57.0      98.2
          58.0       4.4
          67.0       6.5
          68.0       4.5
          69.0      42.7
          70.0      13.0
          71.0      53.0
          72.0       3.0
          78.0       4.2
          79.0      33.8
          80.0       3.1
          81.0       2.8
          82.0       3.2
          83.0      24.1
          84.0       6.6
          85.0      32.0
          86.0       2.0
          95.0       1.3
          96.0       1.3
          97.0      14.4
          98.0       3.8
          99.0       8.8
         107.0       2.1
         109.0       1.9
         111.0       5.5
         112.0       2.1
         113.0       5.8
         121.0       1.0
         123.0       1.0
         125.0       1.8
         126.0       1.3
         127.0       4.4
         135.0      51.1
         136.0       2.5
         137.0      48.7
         138.0       2.2
         141.0       3.5
         148.0       1.1
         149.0      10.9
         150.0       1.6
         151.0      10.3
         155.0       3.0
         163.0       2.0
         165.0       1.9
         169.0       2.1
         183.0       1.0
         225.0       4.2
         304.0       1.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C21 H38 Br N 0.043 g : 0.5 ml CDCl3
    1-hexadecylpyridinium bromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.435 B 8.570 C 8.207 D 4.951 E 2.04 F 1.25 G 0.88

         Hz     ppm     Int.
    

        848.06   9.470     44
        842.19   9.404     44
        769.00   8.587     24
        740.69   8.271     31
        734.31   8.200     38
        451.13   5.038     24
        443.81   4.956     44
        436.44   4.874     27
        126.69   1.415     29
        124.56   1.391     36
        111.75   1.248   1000
         83.63   0.934     36
         83.31   0.931     36
         80.94   0.904     31
         80.25   0.897     31
         78.25   0.874    103
         72.31   0.808     24
         72.19   0.807     24
    

CCl4 solution

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KBr disc

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nujol mull

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