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Back ChemicalBook Home>CAS DataBase List>26177-44-6More Spectrum> 4-Bromobenzylamine hydrochloride(26177-44-6) IR1

4-Bromobenzylamine hydrochloride(26177-44-6) IR1

Molecular FormulaC7H9BrClN

Molecular Weight222.51

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

InChIKey BVYUYDBWQMSOKM-UHFFFAOYSA-N

SmilesC1(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
    ChemicalStructure
        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



nujol mull





4-Bromobenzylamine hydrochloride(26177-44-6) IR1 Atlas of Related Products

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