Chem
J-GLOBAL ID：200907029843272922
Nikkaji number：J2.330.983A
4-Oxo-4-(4-trifluoromethylphenyl)butanoic acid methyl ester
4-オキソ-4-(4-トリフルオロメチルフェニル)ブタン酸メチル
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： C12H11F3O3
Molecular formula furigana： C12-H11-F3-O3
Molecular weight： 260.212
InChI：
InChI=1S/C12H11F3O3/c1-18-11(17)7-6-10(16)8-2-4-9(5-3-8)12(13,14)15/h2-5H,6-7H2,1H3
InChI key：
IAFLKIDYLUHRQZ-UHFFFAOYSA-N
SMILES：
COC(=O)CCC(=O)c1ccc(cc1)C(F)(F)F
Systematic name (3)：
- 4-オキソ-4-(4-トリフルオロメチルフェニル)ブタン酸メチル
- メチル 4-オキソ-4-[4-(トリフルオロメチル)フェニル]ブタノアート
- methyl 4-oxo-4-[4-(trifluoromethyl)phenyl]butanoate
- 4-Oxo-4-(4-trifluoromethylphenyl)butanoic acid methyl ester
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