Chem
J-GLOBAL ID：200907017012451725
Nikkaji number：J2.636.460D
(2S)-2β-Methyl-6β-(phenylethynyl)tetrahydro-4H-pyran-4-one
(2S,6S)-2-メチル-6-(2-フェニルエチニル)オキサン-4-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： C14H14O2
Molecular formula furigana： C14-H14-O2
Molecular weight： 214.264
InChI：
InChI=1S/C14H14O2/c1-11-9-13(15)10-14(16-11)8-7-12-5-3-2-4-6-12/h2-6,11,14H,9-10H2,1H3/t11-,14+/m0/s1
InChI key：
WBKVNQGRAGYSRX-SMDDNHRTSA-N
SMILES：
C[C@H]1CC(=O)C[C@H](O1)C#Cc1ccccc1
Systematic name (3)：
- (2S)-2β-メチル-6β-(フェニルエチニル)テトラヒドロ-4H-ピラン-4-オン
- (2S,6S)-2-メチル-6-(2-フェニルエチニル)オキサン-4-オン
- (2S,6S)-2-methyl-6-(2-phenylethynyl)oxan-4-one
- (2S)-2β-Methyl-6β-(phenylethynyl)tetrahydro-4H-pyran-4-one
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