ETHYLTRI-N-PROPYLAMMONIUM IODIDE(15066-80-5) MS

Product NameETHYLTRI-N-PROPYLAMMONIUM IODIDE

CAS 15066-80-5

Molecular FormulaC11H26IN

Molecular Weight299.24

InChIInChI=1S/C11H26N.HI/c1-5-9-12(8-4,10-6-2)11-7-3;/h5-11H2,1-4H3;1H/q+1;/p-1

InChIKey ZLHWTGZMAWUUMD-UHFFFAOYSA-M

Smiles[N+](CC)(CCC)(CCC)CCC.[I-]

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ETHYLTRI-N-PROPYLAMMONIUM IODIDE(15066-80-5) MS
Mass

MS-NW-0499          
ethyltripropylammonium iodide
C11H26IN            (Mass of molecular ion:    299)

   Source Temperature: 220 °C
   Sample Temperature: 230 °C
   Direct, 75 eV

      15.0       3.7
      18.0       4.9
      26.0       3.1
      27.0      35.3
      28.0       6.4
      29.0      15.1
      30.0      18.8
      38.0       1.2
      39.0       9.5
      40.0       1.8
      41.0      35.1
      42.0      11.5
      43.0      76.1
      44.0       6.7
      54.0       1.5
      55.0       2.0
      56.0       4.3
      57.0       3.2
      58.0      33.5
      59.0       1.2
      67.0       1.3
      68.0       1.4
      69.0       2.2
      70.0       2.3
      71.0       1.3
      72.0      20.4
      73.0       1.1
      81.0       1.3
      82.0       1.0
      83.0       1.2
      84.0       3.6
      85.0       1.2
      86.0      10.3
      98.0       2.1
     100.0     100.0
     101.0       8.5
     112.0       1.0
     114.0      53.5
     115.0       5.4
     127.0       8.0
     128.0       3.6
     129.0       7.6
     141.0       1.9
     143.0       4.4
     156.0      13.6
     170.0      20.4
     172.0       1.0

90 MHz in CDCl3

ETHYLTRI-N-PROPYLAMMONIUM IODIDE(15066-80-5) MS

¹H NMR	89.56 MHz
C₁₁ H₂₆ I N	0.046 g : 0.5 ml CDCl₃
ethyltripropylammonium iodide

    Assign.     Shift(ppm)

      A             3.51
      B             3.34
      C             1.80
      D             1.40
      E             1.072
     
     J(A,D)=7.3HZ
     J(C,E)=7.0HZ

     Hz     ppm     Int.

    329.44   3.679     47
    321.94   3.595    165
    314.63   3.514    180
    307.88   3.438    296
    302.81   3.382    161
    300.06   3.351    195
    299.25   3.342    205
    294.81   3.292    153
    291.00   3.250    328
    172.94   1.931    107
    171.13   1.911     49
    170.75   1.907     50
    165.69   1.851    149
    165.38   1.847    149
    163.38   1.825    104
    162.75   1.818    104
    161.50   1.804    112
    161.13   1.800    115
    160.00   1.787    106
    159.50   1.781    107
    157.31   1.757    141
    156.56   1.749    147
    154.19   1.722     97
    150.19   1.677     90
    148.75   1.661    107
    132.63   1.481     85
    131.44   1.468     71
    131.13   1.465     72
    127.00   1.419    114
    125.44   1.401    163
    123.94   1.384    126
    123.63   1.381    126
    119.44   1.334     63
    118.25   1.321     77
    116.31   1.299     57
    102.44   1.144    539
     98.81   1.104     73
     98.38   1.099     73
     95.44   1.066   1000
     91.63   1.024     87
     88.06   0.984    319

in CDCl3