2-Bromobenzylamine hydrochloride(5465-63-4) ¹³C NMR

Product Name2-Bromobenzylamine hydrochloride

CAS 5465-63-4

Molecular FormulaC7H9BrClN

Molecular Weight222.51

InChIInChI=1S/C7H8BrN.ClH/c8-7-4-2-1-3-6(7)5-9;/h1-4H,5,9H2;1H

InChIKey MDEJOHXOXKDGOU-UHFFFAOYSA-N

SmilesC1(CN)=CC=CC=C1Br.Cl

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Mass

MS-IW-9291          
2-bromobenzylamine hydrochloride
C7H8BrN HCl         (Mass of molecular ion:    185)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.5
      27.0       2.1
      28.0      31.5
      29.0       9.7
      30.0      60.1
      35.0       4.9
      36.0      45.7
      37.0       2.6
      38.0      16.3
      39.0       5.3
      49.0       1.1
      50.0      11.5
      51.0      16.5
      51.5       2.5
      52.0       5.6
      52.5      20.0
      53.0       7.1
      61.0       1.0
      62.0       2.4
      63.0       4.9
      64.0       1.3
      74.0       4.2
      75.0       6.7
      76.0       6.6
      77.0      42.6
      78.0      16.0
      79.0      19.4
      80.0       1.8
      89.0       6.9
      90.0       7.3
      91.0       1.7
     102.0       2.4
     103.0       1.4
     104.0       9.2
     105.0       2.7
     106.0     100.0
     107.0       8.3
     156.0       3.4
     157.0       5.2
     158.0       3.5
     159.0       4.8
     169.0       6.1
     171.0       5.7
     184.0      30.7
     185.0      14.1
     186.0      30.2
     187.0      13.3
     188.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₈ Br N	0.041 g : 0.5 ml DMSO-d₆
2-bromobenzylamine hydrochloride

    Assign.     Shift(ppm)

      A             8.81
      B             7.702
      C             7.695
      D             7.470
      E             7.340
      F             4.107

     Hz     ppm     Int.

   3522.49   8.814     48
   3083.65   7.716    176
   3081.97   7.712    199
   3080.44   7.708    262
   3079.22   7.705    269
   3075.87   7.697    216
   3074.34   7.693    226
   3072.36   7.688    290
   3071.14   7.685    289
   2993.77   7.491    114
   2992.71   7.489    123
   2986.30   7.473    230
   2985.08   7.470    240
   2978.67   7.454    133
   2977.45   7.451    134
   2941.28   7.360    128
   2939.76   7.356    137
   2933.50   7.341    186
   2931.98   7.337    186
   2925.87   7.322     93
   2924.35   7.318     93
   1641.54   4.108   1000

in DMSO-d6