Chem
J-GLOBAL ID：201607012453038088
Nikkaji number：J3.478.120F
(R)-2-(4-Fluorophenyl)-2-methyl-5-oxohexanal
(R)-2-(4-フルオロフェニル)-2-メチル-5-オキソヘキサナール
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： C13H15FO2
Molecular formula furigana： C13-H15-F-O2
Molecular weight： 222.259
InChI：
InChI=1S/C13H15FO2/c1-10(16)7-8-13(2,9-15)11-3-5-12(14)6-4-11/h3-6,9H,7-8H2,1-2H3/t13-/m0/s1
InChI key：
DDQBSMSHGBEZLS-ZDUSSCGKSA-N
SMILES：
CC(=O)CC[C@@](C)(C=O)c1ccc(F)cc1
Systematic name (3)：
- (R)-2-(4-フルオロフェニル)-2-メチル-5-オキソヘキサナール
- (2R)-2-(4-フルオロフェニル)-2-メチル-5-オキソヘキサナール
- (2R)-2-(4-fluorophenyl)-2-methyl-5-oxohexanal
- (R)-2-(4-Fluorophenyl)-2-methyl-5-oxohexanal
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