Chem
J-GLOBAL ID：200907099276254606
Nikkaji number：J2.071.768H
(1S)-1β-Phenyl-1,4,5,6,7,7aβ-hexahydroisobenzofuran
(1S)-1β-フェニル-1,4,5,6,7,7aβ-ヘキサヒドロイソベンゾフラン
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/c1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-15-14/h1-3,6-7,10,13-14H,4-5,8-9H2/t13-,14+/m0/s1
InChI key：
OZEIXYZJNKWDTE-UONOGXRCSA-N
SMILES：
C1CCC2=CO[C@@H]([C@H]2C1)c1ccccc1
Systematic name (3)：
- (1S)-1β-フェニル-1,4,5,6,7,7aβ-ヘキサヒドロイソベンゾフラン
- (1S,7aS)-1-フェニル-1,4,5,6,7,7a-ヘキサヒドロ-2-ベンゾフラン
- (1S,7aS)-1-phenyl-1,4,5,6,7,7a-hexahydro-2-benzofuran
- (1S)-1β-Phenyl-1,4,5,6,7,7aβ-hexahydroisobenzofuran
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