Chem
J-GLOBAL ID：200907001138759071
Nikkaji number：J1.087.461K
1-(4β-Methylcyclohexane-1α-yl)pentane-1,4-dione
1-(4β-メチルシクロヘキサン-1α-イル)ペンタン-1,4-ジオン
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： C12H20O2
Molecular formula furigana： C12-H20-O2
Molecular weight： 196.290
InChI：
InChI=1S/C12H20O2/c1-9-3-6-11(7-4-9)12(14)8-5-10(2)13/h9,11H,3-8H2,1-2H3/t9-,11-
InChI key：
YMEWMMRUWBPMFH-HOMQSWHASA-N
SMILES：
C[C@H]1CC[C@@H](CC1)C(=O)CCC(=O)C
Systematic name (3)：
- 1-(4β-メチルシクロヘキサン-1α-イル)ペンタン-1,4-ジオン
- 1-[(1r,4r)-4-メチルシクロヘキシル]ペンタン-1,4-ジオン
- 1-[(1r,4r)-4-methylcyclohexyl]pentane-1,4-dione
- 1-(4β-Methylcyclohexane-1α-yl)pentane-1,4-dione
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