4-溴芐胺鹽酸鹽(26177-44-6)紅外圖譜(IR1)

產(chǎn)品名稱:4-溴芐胺鹽酸鹽

CAS:26177-44-6

分子式:C7H9BrClN

分子量: 222.51

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

InChIKey: BVYUYDBWQMSOKM-UHFFFAOYSA-N

Smiles:C1(CN)=CC=C(Br)C=C1.Cl

Mass

MS-NW-7148          
4-bromobenzylamine hydrochloride
C7H8BrN HCl         (Mass of molecular ion:    185)

   Source Temperature: 190 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       2.0
      27.0       1.7
      28.0      26.7
      29.0       8.9
      30.0      35.2
      35.0       4.5
      36.0      30.8
      37.0       1.7
      38.0      10.4
      39.0       4.4
      49.0       1.3
      50.0      12.0
      51.0      11.2
      51.5       1.6
      52.0       4.2
      52.5      11.4
      53.0       3.7
      54.0       1.4
      61.0       1.3
      62.0       2.6
      63.0       5.6
      64.0       1.3
      73.0       1.4
      74.0       5.6
      75.0       7.5
      76.0       6.9
      77.0      29.8
      78.0      13.7
      79.0      13.8
      80.0       1.2
      89.0       9.4
      90.0       8.8
      91.0       2.2
     103.0       1.1
     104.0       5.9
     105.0       3.9
     106.0     100.0
     107.0       8.6
     155.0       1.6
     156.0       1.7
     157.0       6.3
     158.0       1.9
     159.0       4.8
     169.0       8.6
     170.0       1.3
     171.0       8.4
     182.0       1.4
     184.0      33.5
     185.0      14.2
     186.0      32.1
     187.0      13.6
     188.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₈ Br N	0.035 g : 0.5 ml DMSO-d₆
4-bromobenzylamine hydrochloride

    Assign.     Shift(ppm)

      A             8.69
      B             7.613
      C             7.506
      D             3.995

     Hz     ppm     Int.

   3473.82   8.693    177
   3050.08   7.632     94
   3047.64   7.626    603
   3045.65   7.621    252
   3041.08   7.610    300
   3039.09   7.605    922
   3036.65   7.599    156
   3005.68   7.521    131
   3003.23   7.515    775
   3001.40   7.511    240
   2996.67   7.499    201
   2994.84   7.494    526
   2992.40   7.488     72
   1596.68   3.996   1000

KBr disc