Chem
J-GLOBAL ID：200907094104996692
Nikkaji number：J1.258.593D
1-Phenyl-2,2-dimethyl-4-chloro-3-pentanone
1-フェニル-2,2-ジメチル-4-クロロ-3-ペンタノン
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： C13H17ClO
Molecular formula furigana： C13-H17-CL-O
Molecular weight： 224.730
InChI：
InChI=1S/C13H17ClO/c1-10(14)12(15)13(2,3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChI key：
NCMOJYRQAPBFIE-UHFFFAOYSA-N
SMILES：
CC(Cl)C(=O)C(C)(C)Cc1ccccc1
Systematic name (3)：
- 1-フェニル-2,2-ジメチル-4-クロロ-3-ペンタノン
- 4-クロロ-2,2-ジメチル-1-フェニルペンタン-3-オン
- 4-chloro-2,2-dimethyl-1-phenylpentan-3-one
- 1-Phenyl-2,2-dimethyl-4-chloro-3-pentanone
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