2-羟基-5-(乙基-d5)吡嗪结构式

2-羟基-5-(乙基-d5)吡嗪
中文名称:2-羟基-5-(乙基-d5)吡嗪
英文名称:2-Hydroxy-5-(ethyl-d5)-pyrazine
CAS No.:1185306-46-0
分子式:C6H3D5N2O 分子量:129.17
2-羟基-5-(乙基-d5)吡嗪 数据
Mol:
   0  0  0  0  0  0  0  0  0  0  0  0
    1.1284   -1.1821    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    0.3032   -1.1821    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433   -0.4677    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    1.8421    0.6602    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    1.0170    0.6602    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1 10  1  0     0  0
  1 11  1  0     0  0
  2 12  1  0     0  0
  2 13  1  0     0  0
  2 14  1  0     0  0
  3  4  2  0     0  0
  3  5  1  0     0  0
  4  6  1  0     0  0
  5  7  2  0     0  0
  6  8  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
M  END                                
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2-羟基-5-(乙基-d5)吡嗪 Smile 编码:
C([2H])([2H])(C1N=CC(=O)NC=1)C([2H])([2H])[2H]
2-羟基-5-(乙基-d5)吡嗪 InChi 编码:
1S/C6H8N2O/c1-2-5-3-8-6(9)4-7-5/h3-4H,2H2,1H3,(H,8,9)
2-羟基-5-(乙基-d5)吡嗪 InChiKey 编码:
ZHVKDEUNAMGLSA-UHFFFAOYSA-N