Tetrapentylammonium iodide (2498-20-6) MS

Product NameTetrapentylammonium iodide

CAS 2498-20-6

Molecular FormulaC20H44IN

Molecular Weight425.47

InChIInChI=1S/C20H44N.HI/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 FBLZDUAOBOMSNZ-UHFFFAOYSA-M

Smiles[N+](CCCCC)(CCCCC)(CCCCC)CCCCC.[I-]

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Tetrapentylammonium iodide (2498-20-6) MS
Mass

MS-NW-9236          
tetrapentylammonium iodide
C20H44IN            (Mass of molecular ion:    425)

   Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      17.0       1.0
      18.0       5.8
      27.0       5.5
      28.0       1.6
      29.0       9.5
      30.0       3.8
      39.0       3.0
      41.0      14.2
      42.0       5.3
      43.0      52.5
      44.0       7.7
      55.0       4.8
      56.0       1.4
      57.0       2.5
      58.0       6.7
      69.0       2.1
      70.0       1.4
      71.0      35.5
      72.0       2.1
      84.0       3.7
      98.0       1.1
     100.0       2.2
     112.0       2.6
     114.0      33.7
     115.0       2.8
     156.0       1.0
     168.0       1.1
     170.0     100.0
     171.0      12.5
     196.0       1.0
     198.0       6.8
     227.0       5.0

90 MHz in CDCl3

Tetrapentylammonium iodide (2498-20-6) MS

¹H NMR	89.56 MHz
C₂₀ H₄₄ I N	0.038 g : 0.5 ml CDCl₃
tetrapentylammonium iodide

    Assign.     Shift(ppm)

      A             3.37
      B             1.72
      C          1.53 to 1.28
      D             0.93

     Hz     ppm     Int.

    310.25   3.465    210
    304.94   3.405    240
    304.25   3.398    244
    303.56   3.390    249
    303.13   3.385    247
    298.94   3.338    209
    298.56   3.334    209
    294.25   3.286    286
    144.31   1.612    197
    130.94   1.463    587
    128.06   1.430    594
    124.31   1.389    657
     88.75   0.991    381
     83.00   0.927   1000
     77.13   0.862    313

in CDCl3