Chem
J-GLOBAL ID：200907024719375460
Nikkaji number：J505.062F
1α,2β,4β-Trimethylcyclohexane
1α,2β,4β-トリメチルシクロヘキサン
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： C9H18
Molecular formula furigana： C9-H18
Molecular weight： 126.243
InChI：
InChI=1S/C9H18/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m0/s1
InChI key：
VCJPCEVERINRSG-CIUDSAMLSA-N
SMILES：
C[C@H]1CC[C@H](C)[C@@H](C)C1
Systematic name (3)：
- 1α,2β,4β-トリメチルシクロヘキサン
- (1S,2S,4S)-1,2,4-トリメチルシクロヘキサン
- (1S,2S,4S)-1,2,4-trimethylcyclohexane
- 1α,2β,4β-Trimethylcyclohexane
- (1S,2S,4S)-1,2,4-Trimethylcyclohexane
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