Chem
J-GLOBAL ID：200907013489771440
Nikkaji number：J1.219.914G
(4aR)-5,6-Dimethyl-2,4aβ,5,6,7,8-hexahydronaphthalene-2-one
(4aR)-5,6-ジメチル-2,4a,5,6,7,8-ヘキサヒドロナフタレン-2-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： C12H16O
Molecular formula furigana： C12-H16-O
Molecular weight： 176.259
InChI：
InChI=1S/C12H16O/c1-8-3-4-10-7-11(13)5-6-12(10)9(8)2/h5-9,12H,3-4H2,1-2H3/t8?,9?,12-/m1/s1
InChI key：
NNXMBEBIJIRNIP-SHVIVCPWSA-N
SMILES：
CC1CCC2=CC(=O)C=C[C@@H]2C1C
Systematic name (3)：
- (4aR)-5,6-ジメチル-2,4aβ,5,6,7,8-ヘキサヒドロナフタレン-2-オン
- (4aR)-5,6-ジメチル-2,4a,5,6,7,8-ヘキサヒドロナフタレン-2-オン
- (4aR)-5,6-dimethyl-2,4a,5,6,7,8-hexahydronaphthalen-2-one
- (4aR)-5,6-Dimethyl-2,4aβ,5,6,7,8-hexahydronaphthalene-2-one
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