Chem
J-GLOBAL ID：200907019700235788
Nikkaji number：J2.117.300B
(3aS)-5,6-Dimethyl-1,3,3aα,4,7,7aα-hexahydroisobenzofuran-1-one
(3aS)-5,6-ジメチル-1,3,3aα,4,7,7aα-ヘキサヒドロイソベンゾフラン-1-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： C10H14O2
Molecular formula furigana： C10-H14-O2
Molecular weight： 166.220
InChI：
InChI=1S/C10H14O2/c1-6-3-8-5-12-10(11)9(8)4-7(6)2/h8-9H,3-5H2,1-2H3/t8-,9-/m1/s1
InChI key：
QDTAICREZRUWQX-RKDXNWHRSA-N
SMILES：
CC1=C(C)C[C@@H]2[C@@H](COC2=O)C1
Systematic name (3)：
- (3aS)-5,6-ジメチル-1,3,3aα,4,7,7aα-ヘキサヒドロイソベンゾフラン-1-オン
- (3aS,7aR)-5,6-ジメチル-1,3,3a,4,7,7a-ヘキサヒドロ-2-ベンゾフラン-1-オン
- (3aS,7aR)-5,6-dimethyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-one
- (3aS)-5,6-Dimethyl-1,3,3aα,4,7,7aα-hexahydroisobenzofuran-1-one
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