Tetraethylammonium iodide(68-05-3) Raman

Product NameTetraethylammonium iodide

CAS 68-05-3

Molecular FormulaC8H20IN

Molecular Weight257.16

InChIInChI=1S/C8H20N.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1

InChIKey UQFSVBXCNGCBBW-UHFFFAOYSA-M

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

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Mass

MS-NW-9049          
tetraethylammonium iodide
C8H20IN             (Mass of molecular ion:    257)

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

      15.0       1.0
      18.0       5.8
      26.0       4.2
      27.0      33.4
      28.0      12.4
      29.0      78.9
      30.0      32.6
      41.0       1.9
      42.0       6.6
      43.0       1.7
      44.0      11.5
      56.0       4.6
      57.0       2.1
      58.0      58.8
      59.0       2.2
      70.0       2.8
      71.0       1.6
      72.0       4.5
      84.0       1.1
      86.0     100.0
      87.0       6.1
      91.0       4.4
     100.0       7.3
     101.0      20.7
     102.0       1.5
     126.0       1.0
     127.0       9.2
     128.0       6.4
     134.0       1.4
     141.0       1.2
     156.0      85.8
     157.0       2.0

400 MHz in D2O

¹H NMR	399.65 MHz
C₈ H₂₀ I N	0.040 g : 0.5 ml D₂O
tetraethylammonium iodide

    Assign.     Shift(ppm)

      A             3.273
      B             1.271

     Hz     ppm     Int.

   1318.97   3.301    331
   1311.77   3.283    988
   1304.44   3.264    982
   1300.17   3.254     44
   1297.12   3.246    329
    516.97   1.294    504
    515.01   1.289    530
    513.18   1.285    519
    509.64   1.276    989
    507.81   1.271   1000
    505.86   1.266    933
    502.32   1.257    482
    500.49   1.253    486
    498.54   1.248    447

KBr disc