Chem
J-GLOBAL ID：200907002912665855
Nikkaji number：J2.337.811F
3α-Phenyl-3,3aα,4,6aα-tetrahydropentalene-1(2H)-one
3α-フェニル-3,3aα,4,6aα-テトラヒドロペンタレン-1(2H)-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： C14H14O
Molecular formula furigana： C14-H14-O
Molecular weight： 198.265
InChI：
InChI=1S/C14H14O/c15-14-9-13(10-5-2-1-3-6-10)11-7-4-8-12(11)14/h1-6,8,11-13H,7,9H2/t11-,12+,13+/m0/s1
InChI key：
LYIYTZZBXODDPU-YNEHKIRRSA-N
SMILES：
O=C1C[C@@H]([C@H]2CC=C[C@@H]12)c1ccccc1
Systematic name (3)：
- 3α-フェニル-3,3aα,4,6aα-テトラヒドロペンタレン-1(2H)-オン
- (3S,3aR,6aR)-3-フェニル-1,2,3,3a,4,6a-ヘキサヒドロペンタレン-1-オン
- (3S,3aR,6aR)-3-phenyl-1,2,3,3a,4,6a-hexahydropentalen-1-one
- 3α-Phenyl-3,3aα,4,6aα-tetrahydropentalene-1(2H)-one
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