Chem
J-GLOBAL ID：200907025234681748
Nikkaji number：J2.050.650D
(1S,2R)-1-Hydroxy-1-(4-chlorophenyl)-2-methylpentane-3-one
(1S,2R)-1-ヒドロキシ-1-(4-クロロフェニル)-2-メチルペンタン-3-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： C12H15ClO2
Molecular formula furigana： C12-H15-CL-O2
Molecular weight： 226.700
InChI：
InChI=1S/C12H15ClO2/c1-3-11(14)8(2)12(15)9-4-6-10(13)7-5-9/h4-8,12,15H,3H2,1-2H3/t8-,12-/m0/s1
InChI key：
NOWPZGOIXHDZQK-UFBFGSQYSA-N
SMILES：
CCC(=O)[C@H](C)[C@H](O)c1ccc(Cl)cc1
Systematic name (3)：
- (1S,2R)-1-ヒドロキシ-1-(4-クロロフェニル)-2-メチルペンタン-3-オン
- (1S,2R)-1-(4-クロロフェニル)-1-ヒドロキシ-2-メチルペンタン-3-オン
- (1S,2R)-1-(4-chlorophenyl)-1-hydroxy-2-methylpentan-3-one
- (1S,2R)-1-Hydroxy-1-(4-chlorophenyl)-2-methylpentane-3-one
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