Benzyltrimethylammonium tribromide(111865-47-5) MS

Product NameBenzyltrimethylammonium tribromide

CAS 111865-47-5

Molecular FormulaC10H16Br3N

Molecular Weight389.96

InChIInChI=1S/C10H16N.Br3/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-2/h4-8H,9H2,1-3H3;/q+1;-1

InChIKey OQESKQAHRXOSMS-UHFFFAOYSA-N

Smiles[Br-](Br)Br.C(C1C=CC=CC=1)[N+](C)(C)C

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Benzyltrimethylammonium tribromide(111865-47-5) MS
Mass

MS-IW-4081          
benzyltrimethylammonium tribromide
C10H16BrN Br2       (Mass of molecular ion:    229)

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

      15.0       3.5
      18.0       1.4
      28.0       1.1
      29.0       1.0
      30.0       5.7
      38.0       1.2
      39.0       5.0
      41.0       1.9
      42.0       7.7
      43.0       2.2
      44.0       4.8
      45.0       2.0
      50.0       2.0
      51.0       3.0
      52.0       1.2
      57.0       2.5
      58.0      52.0
      59.0      11.2
      62.0       1.7
      63.0       4.5
      64.0       1.3
      65.0      13.1
      80.0       2.0
      82.0       2.0
      85.0       1.0
      86.0       1.0
      89.0       4.1
      90.0       2.2
      91.0     100.0
      92.0      10.5
      94.0       3.6
      96.0       3.4
     118.0       1.1
     120.0       1.0
     126.0       1.1
     134.0      11.9
     135.0      16.1
     136.0       1.6
     170.0       6.4
     172.0       6.2
     211.0       1.0

400 MHz in DMSO-d6

Benzyltrimethylammonium tribromide(111865-47-5) MS

¹H NMR	399.65 MHz
C₁₀ H₁₆ Br N	0.029 g : 0.5 ml DMSO-d₆
benzyltrimethylammonium tribromide

    Assign.     Shift(ppm)

      A          7.56 to 7.54
      B             4.576
      C             3.054

     Hz     ppm     Int.

   3027.71   7.576     34
   3026.00   7.572     44
   3024.41   7.568     45
   3022.46   7.563     66
   3019.78   7.557    203
   3018.19   7.553    143
   3016.24   7.548    218
   3012.70   7.539     55
   3011.35   7.535     72
   3009.40   7.531     32
   3008.79   7.529     34
   3006.96   7.524     25
   1828.98   4.577    243
   1220.46   3.054   1000

in DMSO-d6