BENZYLTRIMETHYLAMMONIUM DICHLOROIODATE(114971-52-7) IR1

Product NameBENZYLTRIMETHYLAMMONIUM DICHLOROIODATE

CAS 114971-52-7

Molecular FormulaC10H16Cl2IN

Molecular Weight348.05

InChIInChI=1S/C10H16N.Cl2I/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-2/h4-8H,9H2,1-3H3;/q+1;-1

InChIKey PPDJNZTUDFPAHX-UHFFFAOYSA-N

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

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Mass

MS-IW-5566          
benzyltrimethylammonium dichloroiodate
C10H16Cl2IN         (Mass of molecular ion:    347)

   Source Temperature: 200 °C
   Sample Temperature: 230 °C
   Direct, 75 eV

      15.0       2.4
      28.0       2.6
      29.0       1.4
      30.0       7.2
      36.0       3.6
      38.0       1.9
      39.0       5.0
      40.0       1.0
      41.0       1.9
      42.0       9.0
      43.0       3.0
      44.0       4.5
      45.0       3.7
      45.5       1.1
      50.0       6.4
      51.0       3.3
      52.0       2.0
      56.0       1.0
      57.0       3.2
      58.0      58.4
      59.0      15.8
      62.0       1.7
      63.0       5.5
      64.0       1.4
      65.0      12.7
      77.0       1.1
      89.0       4.9
      90.0       2.0
      91.0     100.0
      92.0       9.8
     118.0       1.1
     125.0       2.2
     126.0      18.4
     127.0       2.3
     128.0       6.2
     134.0       9.4
     135.0      12.3
     136.0       1.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₆ Cl₂ I N	0.039 g : 0.5 ml DMSO-d₆
benzyltrimethylammonium dichloroiodate

    Assign.     Shift(ppm)

      A             7.55
      B             4.526
      C             3.034

     Hz     ppm     Int.

   3020.87   7.559     28
   3018.31   7.553    101
   3016.97   7.550    139
   3015.38   7.546    532
   3012.57   7.539     68
   3011.47   7.536     42
   3010.62   7.534     34
   1808.96   4.527    246
   1212.65   3.035   1000

in DMSO-d6