Chem
J-GLOBAL ID：200907069457537352
Nikkaji number：J1.582.962A
1-(2-Methylphenyl)-2-methyl-4-pentyne-1-one
1-(2-メチルフェニル)-2-メチル-4-ペンチン-1-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： C13H14O
Molecular formula furigana： C13-H14-O
Molecular weight： 186.254
InChI：
InChI=1S/C13H14O/c1-4-7-11(3)13(14)12-9-6-5-8-10(12)2/h1,5-6,8-9,11H,7H2,2-3H3
InChI key：
OIXSZRRNBZPLML-UHFFFAOYSA-N
SMILES：
CC(CC#C)C(=O)c1ccccc1C
Systematic name (3)：
- 1-(2-メチルフェニル)-2-メチル-4-ペンチン-1-オン
- 2-メチル-1-(2-メチルフェニル)ペンタ-4-イン-1-オン
- 2-methyl-1-(2-methylphenyl)pent-4-yn-1-one
- 1-(2-Methylphenyl)-2-methyl-4-pentyne-1-one
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