Chem
J-GLOBAL ID：201207004960900210
Nikkaji number：J3.004.253K
1β-(3-Methylphenylethynyl)-6-methyl-3,4-dihydro-1H-2-benzopyran
1β-(3-メチルフェニルエチニル)-6-メチル-3,4-ジヒドロ-1H-2-ベンゾピラン
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： C19H18O
Molecular formula furigana： C19-H18-O
Molecular weight： 262.352
InChI：
InChI=1S/C19H18O/c1-14-4-3-5-16(12-14)7-9-19-18-8-6-15(2)13-17(18)10-11-20-19/h3-6,8,12-13,19H,10-11H2,1-2H3/t19-/m1/s1
InChI key：
UKLBZZIILXISFT-LJQANCHMSA-N
SMILES：
Cc1cccc(c1)C#C[C@H]1OCCc2cc(C)ccc12
Systematic name (3)：
- 1β-(3-メチルフェニルエチニル)-6-メチル-3,4-ジヒドロ-1H-2-ベンゾピラン
- (1R)-6-メチル-1-[2-(3-メチルフェニル)エチニル]-3,4-ジヒドロ-1H-2-ベンゾピラン
- (1R)-6-methyl-1-[2-(3-methylphenyl)ethynyl]-3,4-dihydro-1H-2-benzopyran
- 1β-(3-Methylphenylethynyl)-6-methyl-3,4-dihydro-1H-2-benzopyran
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