2-萘甲腈,1,2,3,4,5,6,7,8-八氢-4,7-二甲基-结构式

2-萘甲腈,1,2,3,4,5,6,7,8-八氢-4,7-二甲基-
中文名称:2-萘甲腈,1,2,3,4,5,6,7,8-八氢-4,7-二甲基-
英文名称:2-Naphthalenecarbonitrile,1,2,3,4,5,6,7,8-octahydro-4,7-dimethyl-
CAS No.:94386-57-9
分子式:C13H19N 分子量:189.29666
2-萘甲腈,1,2,3,4,5,6,7,8-八氢-4,7-二甲基- 数据
Mol:
    6.7998    3.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4391    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    7.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8524    0.0000 N   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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
 11  6  2  0  0  0  0
  8 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  3  0  0  0  0
M  END                                
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2-萘甲腈,1,2,3,4,5,6,7,8-八氢-4,7-二甲基- Smile 编码:
CC1C2=C(CC(C)CC2)CC(C#N)C1
2-萘甲腈,1,2,3,4,5,6,7,8-八氢-4,7-二甲基- InChi 编码:
InChI=1S/C13H19N/c1-9-3-4-13-10(2)6-11(8-14)7-12(13)5-9/h9-11H,3-7H2,1-2H3
2-萘甲腈,1,2,3,4,5,6,7,8-八氢-4,7-二甲基- InChiKey 编码:
YEVCTGOJOVCQBE-UHFFFAOYSA-N