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Chem
J-GLOBAL ID：201307009071324168
Nikkaji number：J3.164.067I (3S,4R)-1-Phenyl-4-methyl-5-hexyne-3-ol
(3S,4R)-1-フェニル-4-メチル-5-ヘキシン-3-オール
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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： C13H16O
Molecular formula furigana： C13-H16-O
Molecular weight： 188.270
InChI：
InChI=1S/C13H16O/c1-3-11(2)13(14)10-9-12-7-5-4-6-8-12/h1,4-8,11,13-14H,9-10H2,2H3/t11-,13+/m1/s1
InChI key：
VJVUCUFOJRVKRX-YPMHNXCESA-N
SMILES：
C[C@H](C#C)[C@@H](O)CCc1ccccc1
Systematic name (3)： - (3S,4R)-1-フェニル-4-メチル-5-ヘキシン-3-オール
- (3S,4R)-4-メチル-1-フェニルヘキサ-5-イン-3-オール
- (3S,4R)-4-methyl-1-phenylhex-5-yn-3-ol
- (3S,4R)-1-Phenyl-4-methyl-5-hexyne-3-ol
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