Chem
J-GLOBAL ID：200907095765909318
Nikkaji number：J558.608I
1,3,3aα,4,7,7aα-Hexahydro-isobenzofuran-1-one
3aα,4,7,7aα-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： C8H10O2
Molecular formula furigana： C8-H10-O2
Molecular weight： 138.166
InChI：
InChI=1S/C8H10O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-2,6-7H,3-5H2/t6-,7-/m1/s1
InChI key：
AOPUFOXDCYPIBN-RNFRBKRXSA-N
SMILES：
O=C1OC[C@H]2CC=CC[C@@H]12
Systematic name (8)：
- (1S,6R)-8-オキサビシクロ[4.3.0]ノナ-3-エン-7-オン
- 3aα,4,7,7aα-テトラヒドロイソベンゾフラン-1(3H)-オン
- (3aS,7aR)-3a,4,7,7a-テトラヒドロイソベンゾフラン-1(3H)-オン
- (3aS)-3aα,4,7,7aα-テトラヒドロイソベンゾフラン-1(3H)-オン
- 1,3,3aα,4,7,7aα-ヘキサヒドロ-イソベンゾフラン-1-オン
Show all
- 3aα,4,7,7aα-Tetrahydroisobenzofuran-1(3H)-one
- (3aS,7aR)-3a,4,7,7a-Tetrahydroisobenzofuran-1(3H)-one
- (3aS)-3aα,4,7,7aα-Tetrahydroisobenzofuran-1(3H)-one
- 1,3,3aα,4,7,7aα-Hexahydro-isobenzofuran-1-one
- (3aS)-1,3,3aα,4,7,7aα-Hexahydroisobenzofuran-1-one
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