Chem
J-GLOBAL ID：200907055359980514
Nikkaji number：J2.285.275B
1β-Cyano-1,2,5,6,7,7a-hexahydro-6,6,7aβ-trimethyl-4H-indene-4-one
1β-シアノ-1,2,5,6,7,7a-ヘキサヒドロ-6,6,7aβ-トリメチル-4H-インデン-4-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： C13H17NO
Molecular formula furigana： C13-H17-N-O
Molecular weight： 203.285
InChI：
InChI=1S/C13H17NO/c1-12(2)6-11(15)10-5-4-9(7-14)13(10,3)8-12/h5,9H,4,6,8H2,1-3H3/t9-,13-/m1/s1
InChI key：
SFDOTSHNRHNWIW-NOZJJQNGSA-N
SMILES：
C[C@]12CC(C)(C)CC(=O)C1=CC[C@@H]2C#N
Systematic name (3)：
- 1β-シアノ-1,2,5,6,7,7a-ヘキサヒドロ-6,6,7aβ-トリメチル-4H-インデン-4-オン
- (1S,7aR)-6,6,7a-トリメチル-4-オキソ-2,4,5,6,7,7a-ヘキサヒドロ-1H-インデン-1-カルボニトリル
- (1S,7aR)-6,6,7a-trimethyl-4-oxo-2,4,5,6,7,7a-hexahydro-1H-indene-1-carbonitrile
- 1β-Cyano-1,2,5,6,7,7a-hexahydro-6,6,7aβ-trimethyl-4H-indene-4-one
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