4965-17-7

四戊基氯化铵(4965-17-7)质谱(MS)

产品名称:四戊基氯化铵

CAS:4965-17-7

分子式:C20H44ClN

分子量: 334.03

InChI:InChI=1S/C20H44N.ClH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1

InChIKey: SXAWRMKQZKPHNJ-UHFFFAOYSA-M

Smiles:[N+](CCCCC)(CCCCC)(CCCCC)CCCCC.[Cl-]

Mass

MS-IW-3965          
tetrapentylammonium chloride
C20H44ClN           (Mass of molecular ion:    333)

   Source Temperature: 170 °C
   Sample Temperature: 300 °C
   Direct, 75 eV

      27.0       2.1
      29.0       4.0
      30.0       1.8
      39.0       1.3
      41.0       8.0
      42.0       8.8
      43.0      11.0
      44.0       3.3
      55.0       8.2
      56.0       1.2
      57.0       2.7
      58.0       2.6
      69.0       1.4
      70.0      10.7
      71.0       1.5
      84.0       2.6
      98.0       1.2
     100.0       1.9
     112.0       2.7
     114.0      18.5
     115.0       1.5
     156.0       1.0
     168.0       2.7
     170.0     100.0
     171.0      12.6
     196.0       3.7
     226.0       1.2
     227.0       4.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₀ H₄₄ Cl N	0.048 g : 0.5 ml CDCl₃
tetrapentylammonium chloride

    Assign.     Shift(ppm)

      A             3.380
      B             1.698
      C          1.43 to 1.36
      D             0.925

     Hz     ppm     Int.

   1359.74   3.403    250
   1354.49   3.390    177
   1351.20   3.381    222
   1347.78   3.373    177
   1342.65   3.360    271
    678.59   1.698    177
    678.34   1.698    177
    671.75   1.681    147
    671.02   1.680    148
    563.96   1.412    470
    560.79   1.404    534
    557.01   1.394    729
    553.83   1.386    382
    550.05   1.377    242
    382.20   0.957     34
    376.71   0.943    355
    374.51   0.938    261
    369.87   0.926   1000
    367.68   0.921    339
    362.79   0.908    332

in CDCl3