4-乙氧基溴苯-d9结构式

4-乙氧基溴苯-d9
中文名称:4-乙氧基溴苯-d9
英文名称:4-Ethoxybromobenzene-d9
CAS No.:1185314-61-7
分子式:C8D9BrO 分子量:210.12
4-乙氧基溴苯-d9 数据
Mol:
1.4289    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    1.7457    1.4289    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
   -1.5543   -1.4289    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
   -0.4273   -1.1270    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
   -1.4437    0.4125    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
   -2.5707    0.1105    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
   -2.2688   -1.0164    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  2  0      
  3  4  1  0      
  4  5  2  0      
  5  6  1  0      
  1  6  2  0      
  8  9  1  0      
  7  8  1  0      
  4  7  1  0      
  1 10  1  0      
  2 11  1  0      
  3 12  1  0      
  5 13  1  0      
  6 14  1  0      
  8 15  1  0      
  8 16  1  0      
  9 17  1  0      
  9 18  1  0      
  9 19  1  0      
M  ISO  8  11   2  12   2  13   2  14   2  15   2  16   2  17   2  18   2
M  ISO  1  19   2
M  END                                
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4-乙氧基溴苯-d9 Smile 编码:
C1(Br)=C([2H])C([2H])=C(OC([2H])([2H])C([2H])([2H])[2H])C([2H])=C1[2H]
4-乙氧基溴苯-d9 InChi 编码:
1S/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3/i1D3,2D2,3D,4D,5D,6D
4-乙氧基溴苯-d9 InChiKey 编码:
WVUYYXUATWMVIT-SBPQMTJLSA-N
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