5197-87-5

苄基三丙基氯化铵(5197-87-5)红外图谱(IR2)

产品名称:苄基三丙基氯化铵

CAS:5197-87-5

分子式:C16H28ClN

分子量: 269.85

InChI:InChI=1S/C16H28N.ClH/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;/h7-11H,4-6,12-15H2,1-3H3;1H/q+1;/p-1

InChIKey: YTRIOKYQEVFKGU-UHFFFAOYSA-M

Smiles:[N+](CCC)(CCC)(CCC)CC1=CC=CC=C1.[Cl-]

Mass

MS-NW-7060          
benzyltripropylammonium chloride
C16H28ClN           (Mass of molecular ion:    269)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       1.1
      18.0       2.9
      27.0       9.1
      28.0       3.0
      29.0       2.1
      30.0      20.5
      37.0       1.2
      38.0       2.3
      39.0       9.6
      40.0       1.3
      41.0      21.7
      42.0      11.3
      43.0      18.7
      44.0       4.5
      45.0       1.5
      50.0       2.9
      51.0       3.6
      52.0       1.3
      54.0       1.1
      56.0       2.6
      57.0       1.4
      58.0       4.2
      61.0       1.2
      62.0       2.8
      63.0       5.9
      64.0       1.8
      65.0       9.3
      70.0       3.6
      72.0      20.0
      73.0       1.2
      84.0       2.7
      86.0      11.4
      89.0       4.7
      90.0       2.5
      91.0      82.6
      92.0       7.7
     100.0       1.4
     112.0       1.8
     114.0     100.0
     115.0       8.7
     125.0       2.0
     126.0      15.9
     127.0       1.6
     128.0       5.1
     142.0       1.4
     143.0       8.3
     144.0       1.1
     162.0       6.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₆ H₂₈ Cl N	0.043 g : 0.5 ml CDCl₃
benzyltripropylammonium chloride

    Assign.     Shift(ppm)

      A          7.61 to 7.39
      B             4.932
      C             3.29
      D             1.86
      E             1.01

     Hz     ppm     Int.

    679.94   7.593     71
    678.56   7.577     53
    677.94   7.570     65
    675.25   7.540    131
    671.94   7.503    321
    671.00   7.493    305
    669.06   7.471    451
    666.69   7.445    228
    663.81   7.412     82
    661.75   7.389     67
    441.81   4.934    404
    303.94   3.394    213
    301.50   3.367     99
    298.81   3.337    181
    296.00   3.306    215
    295.44   3.299    215
    290.94   3.249    200
    287.06   3.206    302
    180.69   2.018    106
    178.63   1.995     69
    177.81   1.986     75
    175.75   1.963    101
    173.38   1.936    165
    173.06   1.933    165
    171.69   1.918    142
    171.38   1.914    139
    170.63   1.906    136
    168.69   1.884    155
    167.06   1.866    136
    164.50   1.837    174
    164.19   1.834    173
    162.44   1.814    145
    161.81   1.807    137
    156.69   1.750    133
    149.94   1.675     58
    149.50   1.670     55
    149.19   1.666     56
     96.94   1.083    498
     93.50   1.044    134
     89.94   1.005   1000
     85.63   0.957    147
     82.63   0.923    368

in CDCl3