Benzyltrimethylammonium iodide(4525-46-6) IR1

Product NameBenzyltrimethylammonium iodide

CAS 4525-46-6

Molecular FormulaC10H16IN

Molecular Weight277.15

InChIInChI=1S/C10H16N.HI/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1

InChIKey LRRJQNMXIDXNIM-UHFFFAOYSA-M

SmilesC1(=CC=CC=C1)C[N+](C)(C)C.[I-]

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Mass

MS-NW-9014          
benzyltrimethylammonium iodide
C10H16IN            (Mass of molecular ion:    277)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       4.2
      18.0       2.1
      28.0       1.4
      29.0       1.3
      30.0       7.7
      38.0       1.1
      39.0       5.3
      40.0       1.0
      41.0       2.0
      42.0       6.1
      43.0       2.0
      44.0       2.1
      50.0       1.6
      51.0       2.8
      52.0       1.3
      57.0       2.0
      58.0      36.8
      59.0      11.7
      62.0       1.4
      63.0       4.0
      64.0       1.3
      65.0      13.2
      89.0       3.7
      90.0       2.0
      91.0     100.0
      92.0       8.3
     127.0       2.0
     134.0       2.6
     135.0       4.1
     142.0       3.2
     218.0       2.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₆ I N	0.041 g : 0.5 ml DMSO-d₆
benzyltrimethylammonium iodide

    Assign.     Shift(ppm)

      A             7.593
      B             7.55
      C             7.54
      D             4.648
      E             3.090

     Hz     ppm     Int.

   3040.04   7.607     54
   3038.45   7.603     72
   3036.50   7.598     47
   3035.64   7.596     47
   3033.08   7.590    108
   3030.76   7.584    149
   3024.41   7.568     66
   3020.87   7.559    107
   3018.80   7.554    234
   3016.85   7.549    118
   3015.14   7.545     58
   3013.31   7.540     59
   3011.35   7.535    101
   3007.69   7.526     21
   3005.98   7.522     26
   1858.64   4.651    182
   1856.08   4.645    138
   1235.11   3.091   1000

in DMSO-d6