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-]

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

¹H NMR	89.56 MHz
C₂₁ H₃₈ Br N	0.043 g : 0.5 ml CDCl₃
1-hexadecylpyridinium bromide

    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