Chem
J-GLOBAL ID：200907092166214850
Nikkaji number：J1.349.457F
(S)-3-Methyl-4-(3,3-dimethyl-5-oxo-1-cyclopentenyl)butanal
(S)-3-メチル-4-(3,3-ジメチル-5-オキソ-1-シクロペンテニル)ブタナール
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： C12H18O2
Molecular formula furigana： C12-H18-O2
Molecular weight： 194.274
InChI：
InChI=1S/C12H18O2/c1-9(4-5-13)6-10-7-12(2,3)8-11(10)14/h5,7,9H,4,6,8H2,1-3H3/t9-/m1/s1
InChI key：
GSEFLJFZNXQCJS-SECBINFHSA-N
SMILES：
C[C@H](CC=O)CC1=CC(C)(C)CC1=O
Systematic name (3)：
- (S)-3-メチル-4-(3,3-ジメチル-5-オキソ-1-シクロペンテニル)ブタナール
- (3S)-4-(3,3-ジメチル-5-オキソシクロペンタ-1-エン-1-イル)-3-メチルブタナール
- (3S)-4-(3,3-dimethyl-5-oxocyclopent-1-en-1-yl)-3-methylbutanal
- (S)-3-Methyl-4-(3,3-dimethyl-5-oxo-1-cyclopentenyl)butanal
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