147-82-0

2,4,6-三溴苯胺(147-82-0)Raman光谱

产品名称:2,4,6-三溴苯胺

CAS:147-82-0

分子式:C6H4Br3N

分子量: 329.81

InChI:InChI=1S/C6H4Br3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2

InChIKey: GVPODVKBTHCGFU-UHFFFAOYSA-N

Smiles:C1(N)=C(Br)C=C(Br)C=C1Br

Mass

MS-NW-1376          
2,4,6-tribromoaniline
C6H4Br3N            (Mass of molecular ion:    327)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.8
      26.0       2.3
      28.0       3.6
      29.0       1.4
      30.0       1.4
      36.0       1.5
      37.0      10.0
      38.0      10.4
      39.0       5.7
      40.0       1.0
      41.0       3.4
      42.0       1.9
      44.0       1.8
      44.5      13.0
      45.0       4.6
      49.0       2.2
      50.0       4.7
      51.0       3.5
      52.0      10.6
      53.0       1.2
      60.0       3.6
      61.0      14.4
      62.0      22.6
      63.0      21.8
      64.0      11.6
      65.0      11.0
      73.0       1.7
      74.0       3.2
      75.0       1.7
      76.0       3.9
      77.0       4.2
      83.5       1.3
      84.0       1.6
      84.5      11.3
      85.0       2.2
      85.5       9.7
      86.0       1.6
      87.0       2.1
      88.0       7.9
      89.0      12.8
      90.0      22.6
      91.0       1.9
      92.0       1.4
      93.0       4.2
     103.0       2.6
     104.0       5.6
     116.0       1.0
     117.0       2.0
     118.0       1.3
     119.0       2.1
     120.0      29.6
     121.0       2.3
     123.5       1.3
     124.0       1.6
     124.5       2.8
     125.0       3.1
     125.5       1.7
     126.0       1.6
     141.0       5.2
     142.0       1.8
     143.0       5.3
     144.0       1.2
     163.5       2.0
     164.5       6.2
     165.5       5.7
     166.5       1.9
     168.0      22.3
     169.0      13.0
     170.0      22.5
     171.0      12.2
     221.0       2.4
     223.0       4.3
     225.0       2.1
     247.0       1.7
     248.0       9.8
     249.0       4.1
     250.0      19.0
     251.0       3.1
     252.0       9.2
     327.0      33.3
     328.0       2.8
     329.0     100.0
     330.0       7.3
     331.0      96.8
     332.0       7.0
     333.0      31.1
     334.0       2.1

parameter in CDCl3

¹H NMR	300 MHz
C₆ H₄ Br₃ N	0.048 g : 0.5 ml CDCl₃
2,4,6-tribromoaniline

    Parameter     ppm  Hz

      D(A)         7.497
     
      D(B)         4.56

     Hz     ppm     Int.

   2249.10   7.497   1000
   1367.99   4.560     54

in CDCl3

CCl4 solution

KBr disc

nujol mull

4880 A,200 M,powder

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