Chem
J-GLOBAL ID：200907048277410497
Nikkaji number：J2.285.273F
1α-Cyano-1,2,6,7,8,8a-hexahydro-8aβ-methylazulene-4(5H)-one
1α-シアノ-1,2,6,7,8,8a-ヘキサヒドロ-8aβ-メチルアズレン-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： C12H15NO
Molecular formula furigana： C12-H15-N-O
Molecular weight： 189.258
InChI：
InChI=1S/C12H15NO/c1-12-7-3-2-4-11(14)10(12)6-5-9(12)8-13/h6,9H,2-5,7H2,1H3/t9-,12+/m0/s1
InChI key：
JRCBNHBWLKUNMJ-JOYOIKCWSA-N
SMILES：
C[C@]12CCCCC(=O)C1=CC[C@H]2C#N
Systematic name (3)：
- 1α-シアノ-1,2,6,7,8,8a-ヘキサヒドロ-8aβ-メチルアズレン-4(5H)-オン
- (1R,8aR)-8a-メチル-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)-8a-methyl-4-oxo-1,2,4,5,6,7,8,8a-octahydroazulene-1-carbonitrile
- 1α-Cyano-1,2,6,7,8,8a-hexahydro-8aβ-methylazulene-4(5H)-one
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