Chem
J-GLOBAL ID：200907057231108337
Nikkaji number：J2.770.461A
(2S,4S,5S)-2-Phenyl-4-ethynyl-5-methyl-1,3-dioxane
(2S,4S,5S)-2-フェニル-4-エチニル-5-メチル-1,3-ジオキサン
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： C13H14O2
Molecular formula furigana： C13-H14-O2
Molecular weight： 202.253
InChI：
InChI=1S/C13H14O2/c1-3-12-10(2)9-14-13(15-12)11-7-5-4-6-8-11/h1,4-8,10,12-13H,9H2,2H3/t10-,12+,13-/m0/s1
InChI key：
JEXBECVHSHCRDE-UHTWSYAYSA-N
SMILES：
C[C@H]1CO[C@@H](O[C@@H]1C#C)c1ccccc1
Systematic name (3)：
- (2S,4S,5S)-2-フェニル-4-エチニル-5-メチル-1,3-ジオキサン
- (2S,4S,5S)-4-エチニル-5-メチル-2-フェニル-1,3-ジオキサン
- (2S,4S,5S)-4-ethynyl-5-methyl-2-phenyl-1,3-dioxane
- (2S,4S,5S)-2-Phenyl-4-ethynyl-5-methyl-1,3-dioxane
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