Chem
J-GLOBAL ID：200907085124299255
Nikkaji number：J2.271.869J
6β-Methyl-3aα,6-dihydroisobenzofuran-1(3H)-one
6β-メチル-3aα,6-ジヒドロイソベンゾフラン-1(3H)-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： C9H10O2
Molecular formula furigana： C9-H10-O2
Molecular weight： 150.177
InChI：
InChI=1S/C9H10O2/c1-6-2-3-7-5-11-9(10)8(7)4-6/h2-4,6-7H,5H2,1H3/t6-,7-/m1/s1
InChI key：
ONLQHSVLNDVFRQ-RNFRBKRXSA-N
SMILES：
C[C@@H]1C=C[C@@H]2COC(=O)C2=C1
Systematic name (4)：
- (3aS)-6β-メチル-1,3,3aα,6-テトラヒドロイソベンゾフラン-1-オン
- 6β-メチル-3aα,6-ジヒドロイソベンゾフラン-1(3H)-オン
- (3aS,6R)-6-メチル-1,3,3a,6-テトラヒドロ-2-ベンゾフラン-1-オン
- (3aS,6R)-6-methyl-1,3,3a,6-tetrahydro-2-benzofuran-1-one
- (3aS)-6β-Methyl-1,3,3aα,6-tetrahydroisobenzofuran-1-one
- 6β-Methyl-3aα,6-dihydroisobenzofuran-1(3H)-one
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