Chem
J-GLOBAL ID：201507008434682168
Nikkaji number：J3.407.202G
(3aR)-4-Methyl-3aα,6,7,7aα-tetrahydroisobenzofuran-1(3H)-one
(3aR)-4-メチル-3aα,6,7,7aα-テトラ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： C9H12O2
Molecular formula furigana： C9-H12-O2
Molecular weight： 152.193
InChI：
InChI=1S/C9H12O2/c1-6-3-2-4-7-8(6)5-11-9(7)10/h3,7-8H,2,4-5H2,1H3/t7-,8+/m1/s1
InChI key：
YWCKGZIVTJHPQU-SFYZADRCSA-N
SMILES：
CC1=CCC[C@@H]2[C@H]1COC2=O
Systematic name (4)：
- (3aR,7aR)-4-メチル-3a,6,7,7a-テトラヒドロイソベンゾフラン-1(3H)-オン
- (3aR)-4-メチル-3aα,6,7,7aα-テトラヒドロイソベンゾフラン-1(3H)-オン
- (3aR,7aR)-4-メチル-1,3,3a,6,7,7a-ヘキサヒドロ-2-ベンゾフラン-1-オン
- (3aR,7aR)-4-methyl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-one
- (3aR,7aR)-4-Methyl-3a,6,7,7a-tetrahydroisobenzofuran-1(3H)-one
- (3aR)-4-Methyl-3aα,6,7,7aα-tetrahydroisobenzofuran-1(3H)-one
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