Chem
J-GLOBAL ID：201807013861889976
Nikkaji number：J3.692.545K
4α-Methyl-4-(3-methylphenyl)-2-cyclohexene-1-one
4α-メチル-4-(3-メチルフェニル)-2-シクロヘキセン-1-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： C14H16O
Molecular formula furigana： C14-H16-O
Molecular weight： 200.281
InChI：
InChI=1S/C14H16O/c1-11-4-3-5-12(10-11)14(2)8-6-13(15)7-9-14/h3-6,8,10H,7,9H2,1-2H3/t14-/m1/s1
InChI key：
KNAFTHMFJNOBFJ-CQSZACIVSA-N
SMILES：
Cc1cccc(c1)[C@@]1(C)CCC(=O)C=C1
Systematic name (3)：
- 4α-メチル-4-(3-メチルフェニル)-2-シクロヘキセン-1-オン
- (4S)-4-メチル-4-(3-メチルフェニル)シクロヘキサ-2-エン-1-オン
- (4S)-4-methyl-4-(3-methylphenyl)cyclohex-2-en-1-one
- 4α-Methyl-4-(3-methylphenyl)-2-cyclohexene-1-one
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