104-74-5

十二烷基氯化吡啶(104-74-5)質(zhì)譜(MS)

分子式:C17H30ClN

分子量: 283.88

InChI:InChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1

InChIKey: GKQHIYSTBXDYNQ-UHFFFAOYSA-M

Smiles:[N+]1(CCCCCCCCCCCC)C=CC=CC=1.[Cl-]

Mass

MS-NW-7902          
1-dodecylpyridinium chloride
C17H30ClN           (Mass of molecular ion:    283)

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

      18.0       1.7
      26.0       4.8
      27.0      14.8
      28.0       3.9
      29.0      25.9
      36.0       3.2
      37.0       1.2
      38.0       1.8
      39.0      13.8
      40.0       2.0
      41.0      51.8
      42.0      15.0
      43.0     100.0
      44.0       3.4
      49.0       2.4
      50.0      10.1
      51.0      15.9
      52.0      38.6
      53.0       7.5
      54.0       4.0
      55.0      52.4
      56.0      21.0
      57.0      91.4
      58.0       4.2
      63.0       2.1
      67.0       4.0
      68.0       3.6
      69.0      43.4
      70.0      14.7
      71.0      36.9
      72.0       2.2
      75.0       1.5
      76.0       1.0
      77.0       2.1
      78.0       7.4
      79.0      56.6
      80.0       6.5
      81.0       1.8
      82.0       3.1
      83.0      20.6
      84.0       9.0
      85.0      17.5
      86.0       1.2
      91.0      83.9
      92.0       4.2
      93.0      27.5
      94.0       2.0
      95.0       1.0
      96.0       1.2
      97.0      11.9
      98.0       4.4
      99.0       1.5
     104.0       2.0
     105.0      22.2
     106.0       3.1
     107.0       7.7
     111.0       4.2
     112.0       1.9
     119.0       5.0
     121.0       1.5
     133.0       1.8
     147.0       1.0
     248.0       7.8
     249.0       2.5
     274.0       2.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₃₀ Cl N	0.033 g : 0.5 ml CDCl₃
1-dodecylpyridinium chloride

    Assign.     Shift(ppm)

      A             9.543
      B             8.544
      C             8.208
      D             4.979
      E             2.040
      F             1.33
      G             1.22
      J             0.871

     Hz     ppm     Int.

   3816.68   9.551    198
   3811.04   9.536    200
   3426.97   8.575     57
   3419.04   8.556    121
   3411.25   8.536     72
   3287.20   8.226    132
   3280.64   8.209    175
   3279.88   8.207    170
   3273.01   8.190    122
   1997.68   4.999    123
   1990.36   4.981    211
   1982.88   4.962    132
    822.91   2.060     68
    815.58   2.041    102
    808.26   2.023     80
    800.63   2.004     33
    530.40   1.328    157
    507.66   1.271    170
    501.86   1.256    262
    489.35   1.225   1000
    355.22   0.889    225
    348.36   0.872    622
    341.34   0.855    268

in CDCl3