5350-41-4

苄基三甲基溴化铵(5350-41-4)Raman光谱

产品名称:苄基三甲基溴化铵

CAS:5350-41-4

分子式:C10H16BrN

分子量: 230.14

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

InChIKey: UUZYBYIOAZTMGC-UHFFFAOYSA-M

Smiles:C1(=CC=CC=C1)C[N+](C)(C)C.[Br-]

Mass

MS-NW-7084          
benzyltrimethylammonium bromide
C10H16BrN           (Mass of molecular ion:    229)

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

      15.0       4.0
      17.0       1.2
      18.0       4.3
      27.0       1.6
      28.0       4.3
      29.0       1.4
      30.0       4.8
      38.0       2.0
      39.0       6.7
      40.0       1.4
      41.0       3.1
      42.0      10.7
      43.0       3.0
      44.0       3.0
      45.0       1.3
      50.0       2.9
      51.0       3.7
      52.0       1.8
      56.0       1.0
      57.0       3.2
      58.0      43.4
      59.0      12.2
      62.0       2.6
      63.0       6.0
      64.0       2.1
      65.0      12.7
      77.0       1.0
      85.0       1.0
      86.0       1.0
      89.0       5.0
      90.0       2.5
      91.0     100.0
      92.0       9.1
      94.0       3.1
      96.0       3.0
     134.0       6.4
     135.0       8.8
     136.0       1.0
     165.0       1.2
     166.0       1.1
     170.0       5.9
     172.0       5.4
     179.0       1.3
     180.0       1.0
     181.0       4.9
     182.0       1.3

400 MHz in DMSO-d6

in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₆ Br N	0.038 g : 0.5 ml DMSO-d₆
benzyltrimethylammonium bromide

    Assign.     Shift(ppm)

      A             7.614
      B             7.54
      C             4.698
      D             3.111

     Hz     ppm     Int.

   3048.34   7.628     58
   3046.75   7.624     73
   3043.09   7.615     35
   3041.02   7.610     92
   3038.94   7.605    104
   3022.95   7.564     33
   3021.97   7.562     42
   3018.19   7.553     77
   3016.11   7.547    179
   3013.92   7.542     87
   3011.72   7.536     36
   3010.13   7.532     49
   3008.42   7.528     85
   3002.69   7.514     22
   1877.69   4.699    248
   1243.41   3.112   1000