Chem
J-GLOBAL ID：200907022643575772
Nikkaji number：J1.703.249F
2-Methyl-3-acetyl-3aα,5,6,7aβ-tetrahydrobenzofuran-7(4H)-one
2-メチル-3-アセチル-3aα,5,6,7aβ-テトラヒドロベンゾフラン-7(4H)-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： C11H14O3
Molecular formula furigana： C11-H14-O3
Molecular weight： 194.230
InChI：
InChI=1S/C11H14O3/c1-6(12)10-7(2)14-11-8(10)4-3-5-9(11)13/h8,11H,3-5H2,1-2H3/t8-,11-/m1/s1
InChI key：
AGNLCEQFTQSGPW-LDYMZIIASA-N
SMILES：
CC(=O)C1=C(C)O[C@@H]2[C@@H]1CCCC2=O
Systematic name (3)：
- 2-メチル-3-アセチル-3aα,5,6,7aβ-テトラヒドロベンゾフラン-7(4H)-オン
- (3aR,7aR)-3-アセチル-2-メチル-3a,4,5,6,7,7a-ヘキサヒドロ-1-ベンゾフラン-7-オン
- (3aR,7aR)-3-acetyl-2-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-7-one
- 2-Methyl-3-acetyl-3aα,5,6,7aβ-tetrahydrobenzofuran-7(4H)-one
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