Chem
J-GLOBAL ID：200907041401312542
Nikkaji number：J1.690.165B
3β,4-Dimethyl-4β-propionyl-3,4-dihydro-2H-1-benzopyran-2-one
3β,4-ジメチル-4β-プロピオニル-3,4-ジヒドロ-2H-1-ベンゾピラン-2-オン
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： C14H16O3
Molecular formula furigana： C14-H16-O3
Molecular weight： 232.279
InChI：
InChI=1S/C14H16O3/c1-4-12(15)14(3)9(2)13(16)17-11-8-6-5-7-10(11)14/h5-9H,4H2,1-3H3/t9-,14-/m1/s1
InChI key：
FARYMIWPOWGHSJ-YMTOWFKASA-N
SMILES：
CCC(=O)[C@]1(C)[C@H](C)C(=O)Oc2ccccc12
Systematic name (3)：
- 3β,4-ジメチル-4β-プロピオニル-3,4-ジヒドロ-2H-1-ベンゾピラン-2-オン
- (3S,4R)-3,4-ジメチル-4-プロパノイル-3,4-ジヒドロ-2H-1-ベンゾピラン-2-オン
- (3S,4R)-3,4-dimethyl-4-propanoyl-3,4-dihydro-2H-1-benzopyran-2-one
- 3β,4-Dimethyl-4β-propionyl-3,4-dihydro-2H-1-benzopyran-2-one
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