4-(4,4,5,5-四甲基1,3,,2-二氧杂硼烷-二基)甲苯结构式

中文名称:4-(4,4,5,5-四甲基1,3,,2-二氧杂硼烷-二基)甲苯
英文名称:4,4,5,5-Tetramethyl-2-(4-methylphenyl)dioxaborolane
CAS No.:195062-57-8
分子式:C13H19BO2 分子量:218.0998
4-(4,4,5,5-四甲基1,3,,2-二氧杂硼烷-二基)甲苯 数据
Mol:
 0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5406    3.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9020    1.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3406    1.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1020    3.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0119    3.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
  2 16  1  0  0  0  0
M  END                                
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4-(4,4,5,5-四甲基1,3,,2-二氧杂硼烷-二基)甲苯 Smile 编码:
CC1(C)C(C)(C)OB(C2C=CC(C)=CC=2)O1
4-(4,4,5,5-四甲基1,3,,2-二氧杂硼烷-二基)甲苯 InChi 编码:
1S/C13H19BO2/c1-10-6-8-11(9-7-10)14-15-12(2,3)13(4,5)16-14/h6-9H,1-5H3
4-(4,4,5,5-四甲基1,3,,2-二氧杂硼烷-二基)甲苯 InChiKey 编码:
GKSSEDDAXXEPCP-UHFFFAOYSA-N