Chem
J-GLOBAL ID：201507001254301005   Nikkaji number：J3.407.203E

(3aR)-4,5-Dimethyl-3aα,6,7,7aα-tetrahydroisobenzofuran-1(3H)-one

(3aR)-4,5-ジメチル-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
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： C10H14O2
Molecular formula furigana： C10-H14-O2
Molecular weight： 166.220
InChI： InChI=1S/C10H14O2/c1-6-3-4-8-9(7(6)2)5-12-10(8)11/h8-9H,3-5H2,1-2H3/t8-,9+/m1/s1
InChI key： CIPQASHRWCIYIV-BDAKNGLRSA-N
SMILES： CC1=C(C)[C@@H]2COC(=O)[C@@H]2CC1
Systematic name  (4)：
  • (3aR,7aR)-4,5-ジメチル-3a,6,7,7a-テトラヒドロイソベンゾフラン-1(3H)-オン
  • (3aR)-4,5-ジメチル-3aα,6,7,7aα-テトラヒドロイソベンゾフラン-1(3H)-オン
  • (3aR,7aR)-4,5-ジメチル-1,3,3a,6,7,7a-ヘキサヒドロ-2-ベンゾフラン-1-オン
  • (3aR,7aR)-4,5-dimethyl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-one
Other name (2)：
  • (3aR,7aR)-4,5-Dimethyl-3a,6,7,7a-tetrahydroisobenzofuran-1(3H)-one
  • (3aR)-4,5-Dimethyl-3aα,6,7,7aα-tetrahydroisobenzofuran-1(3H)-one
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