Chem
J-GLOBAL ID：200907063991144392
Nikkaji number：J2.285.271J
1α-Cyano-1,2,6,7,8,8aβ-hexahydroazulene-4(5H)-one
1α-シアノ-1,2,6,7,8,8aβ-ヘキサヒドロアズレン-4(5H)-オン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C11H13NO
Molecular formula furigana： C11-H13-N-O
Molecular weight： 175.231
InChI：
InChI=1S/C11H13NO/c12-7-8-5-6-10-9(8)3-1-2-4-11(10)13/h6,8-9H,1-5H2/t8-,9+/m0/s1
InChI key：
WJSDOWUAWHXYDS-DTWKUNHWSA-N
SMILES：
O=C1CCCC[C@@H]2[C@@H](CC=C12)C#N
Systematic name (3)：
- 1α-シアノ-1,2,6,7,8,8aβ-ヘキサヒドロアズレン-4(5H)-オン
- (1R,8aR)-4-オキソ-1,2,4,5,6,7,8,8a-オクタヒドロアズレン-1-カルボニトリル
- (1R,8aR)-4-oxo-1,2,4,5,6,7,8,8a-octahydroazulene-1-carbonitrile
- 1α-Cyano-1,2,6,7,8,8aβ-hexahydroazulene-4(5H)-one
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