83781-47-9

Trimethyl[2-[(trimethylsilyl)methyl]benzyl]ammonium Iodide(83781-47-9) MS

Product NameTrimethyl[2-[(trimethylsilyl)methyl]benzyl]ammonium Iodide

CAS 83781-47-9

Molecular FormulaC14H26NSi.I

Molecular Weight363.352

InChIInChI=1S/C14H26NSi.HI/c1-15(2,3)11-13-9-7-8-10-14(13)12-16(4,5)6;/h7-10H,11-12H2,1-6H3;1H/q+1;/p-1

InChIKey GTFSUBIVRHGESQ-UHFFFAOYSA-M

Smiles[N+](CC1=CC=CC=C1C[Si](C)(C)C)(C)(C)C.[I-]

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¹HNMR

¹³CNMR

Trimethyl[2-[(trimethylsilyl)methyl]benzyl]ammonium Iodide(83781-47-9) MS
Mass

MS-KW-0123          
trimethyl(2-((trimethylsilyl)methyl)benzyl)ammonium iodide
C14H26INSi          (Mass of molecular ion:    363)

   Source Temperature: 180 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      15.0       2.6
      27.0       1.0
      28.0       1.8
      29.0       1.5
      30.0       6.7
      39.0       1.5
      41.0       1.0
      42.0       6.8
      43.0       7.0
      44.0       3.1
      45.0       9.7
      50.0       1.0
      51.0       1.9
      53.0       1.5
      57.0       3.0
      58.0      39.7
      59.0      21.4
      66.0       1.0
      72.0       1.5
      73.0     100.0
      74.0       8.6
      75.0       5.2
      77.0       3.3
      78.0       4.0
      81.0       1.6
      91.0       1.3
     102.0       2.2
     103.0       5.2
     104.0      19.9
     105.0       5.0
     115.0       1.8
     117.0       1.8
     119.0       2.3
     121.0       1.3
     127.0       4.0
     128.0       6.7
     131.0       1.9
     133.0       2.4
     135.0       1.8
     142.0       3.2
     145.0       5.7
     146.0       1.6
     147.0       4.1
     148.0       1.8
     149.0       6.5
     159.0       1.4
     161.0      16.8
     162.0       4.3
     163.0       1.9
     176.0       3.4
     177.0      93.9
     178.0      16.8
     179.0       4.5
     185.0       7.7
     206.0       1.4
     221.0       3.6
     289.0       3.2

400 MHz in DMSO-d6

Trimethyl[2-[(trimethylsilyl)methyl]benzyl]ammonium Iodide(83781-47-9) MS

¹H NMR	399.65 MHz
C₁₄ H₂₆ I N Si	0.035 g : 0.5 ml DMSO-d₆
trimethyl(2-((trimethylsilyl)methyl)benzyl)ammonium iodide

    Assign.     Shift(ppm)

      A             7.487
      B             7.391
      C             7.21
      D             7.18
      E             4.541
      F             3.092
      G             2.408
      J            -0.042

     Hz     ppm     Int.

   2996.83   7.499     25
   2995.85   7.497     27
   2989.01   7.480     29
   2988.16   7.477     31
   2955.32   7.395     30
   2953.98   7.392     30
   2947.75   7.376     21
   2888.92   7.229     21
   2882.57   7.213     28
   2881.35   7.210     33
   2873.66   7.191     46
   2865.72   7.171     30
   2864.62   7.168     27
   1814.82   4.542    120
   1235.96   3.093    492
    962.52   2.409    123
    -13.54  -0.033     81
    -16.59  -0.041   1000
    -19.89  -0.049     77

in DMSO-d6

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