Chem
J-GLOBAL ID：200907046973519670
Nikkaji number：J2.065.289F
1β-Cyano-1,2,5,6,7,7a-hexahydro-7aβ-methyl-4H-indene-4-one
1β-シアノ-1,2,5,6,7,7a-ヘキサヒドロ-7aβ-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： C11H13NO
Molecular formula furigana： C11-H13-N-O
Molecular weight： 175.231
InChI：
InChI=1S/C11H13NO/c1-11-6-2-3-10(13)9(11)5-4-8(11)7-12/h5,8H,2-4,6H2,1H3/t8-,11-/m1/s1
InChI key：
BNRSHEIXEJOXME-LDYMZIIASA-N
SMILES：
C[C@]12CCCC(=O)C1=CC[C@@H]2C#N
Systematic name (4)：
- (1S)-4-オキソ-7aβ-メチル-1,4,5,6,7,7a-ヘキサヒドロ-2H-インデン-1β-カルボニトリル
- 1β-シアノ-1,2,5,6,7,7a-ヘキサヒドロ-7aβ-メチル-4H-インデン-4-オン
- (1S,7aR)-7a-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)-7a-methyl-4-oxo-2,4,5,6,7,7a-hexahydro-1H-indene-1-carbonitrile
- (1S)-4-Oxo-7aβ-methyl-1,4,5,6,7,7a-hexahydro-2H-indene-1β-carbonitrile
- 1β-Cyano-1,2,5,6,7,7a-hexahydro-7aβ-methyl-4H-indene-4-one
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