Chem
J-GLOBAL ID:200907048336460533   Nikkaji number:J1.027.106A

3,3-Diethyl-3aα,4,5,6,7,7aβ-hexahydroisobenzofuran-1(3H)-one

(3aS,7aS)-3,3-ジエチル-オクタヒドロ-2-ベンゾフラン-1-オン
Substance type:
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
Molecular formula: C12H20O2
Molecular formula furigana: C12-H20-O2
Molecular weight: 196.290
InChI: InChI=1S/C12H20O2/c1-3-12(4-2)10-8-6-5-7-9(10)11(13)14-12/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
InChI key: LKVPAKXUXSYRBM-UWVGGRQHSA-N
SMILES: CCC1(CC)OC(=O)[C@H]2CCCC[C@H]12
Systematic name  (3):
  • 3,3-ジエチル-3aα,4,5,6,7,7aβ-ヘキサヒドロイソベンゾフラン-1(3H)-オン
  • (3aS,7aS)-3,3-ジエチル-オクタヒドロ-2-ベンゾフラン-1-オン
  • (3aS,7aS)-3,3-diethyl-octahydro-2-benzofuran-1-one
Other name (1):
  • 3,3-Diethyl-3aα,4,5,6,7,7aβ-hexahydroisobenzofuran-1(3H)-one
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