(1R,5S,E)-2-甲基-4-(2,5,6,6-四甲基环己-2-烯-1-基)丁-2-烯醛结构式

(1R,5S,E)-2-甲基-4-(2,5,6,6-四甲基环己-2-烯-1-基)丁-2-烯醛
中文名称:(1R,5S,E)-2-甲基-4-(2,5,6,6-四甲基环己-2-烯-1-基)丁-2-烯醛
英文名称:(1R,5S,E)-2-methyl-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-2-enal
CAS No.:124988-48-3
分子式:C15H24O 分子量:220.35046
(1R,5S,E)-2-甲基-4-(2,5,6,6-四甲基环己-2-烯-1-基)丁-2-烯醛 数据
Mol:
  3.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0133    0.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5833    0.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5176    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    5.4950    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  2  0  0  0  0
  2  5  2  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END                                
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(1R,5S,E)-2-甲基-4-(2,5,6,6-四甲基环己-2-烯-1-基)丁-2-烯醛 Smile 编码:
C/C(=C/CC1C(C)(C)C(C)CC=C1C)/C=O
(1R,5S,E)-2-甲基-4-(2,5,6,6-四甲基环己-2-烯-1-基)丁-2-烯醛 InChi 编码:
InChI=1S/C15H24O/c1-11(10-16)6-9-14-12(2)7-8-13(3)15(14,4)5/h6-7,10,13-14H,8-9H2,1-5H3/b11-6+/t13-,14+/m0/s1
(1R,5S,E)-2-甲基-4-(2,5,6,6-四甲基环己-2-烯-1-基)丁-2-烯醛 InChiKey 编码:
MDRHHPDGZDUMAW-QWAJQTJBSA-N