Chem
J-GLOBAL ID：200907004690299696
Nikkaji number：J1.512.059B
(2S)-2β-(3-Butenyl)-3α-methylcycloheptanone
(2S)-2β-(3-ブテニル)-3α-メチルシクロヘプタノン
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： C12H20O
Molecular formula furigana： C12-H20-O
Molecular weight： 180.291
InChI：
InChI=1S/C12H20O/c1-3-4-8-11-10(2)7-5-6-9-12(11)13/h3,10-11H,1,4-9H2,2H3/t10-,11+/m1/s1
InChI key：
BNOGHWUPHSHOGQ-MNOVXSKESA-N
SMILES：
C[C@@H]1CCCCC(=O)[C@H]1CCC=C
Systematic name (3)：
- (2S)-2β-(3-ブテニル)-3α-メチルシクロヘプタノン
- (2S,3R)-2-(ブタ-3-エン-1-イル)-3-メチルシクロヘプタン-1-オン
- (2S,3R)-2-(but-3-en-1-yl)-3-methylcycloheptan-1-one
- (2S)-2β-(3-Butenyl)-3α-methylcycloheptanone
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