Chem
J-GLOBAL ID：200907055625222485
Nikkaji number：J1.864.944F
3-[3-(α,α-Dimethyl-β-oxophenethyl)-1-cyclohexenyl]propynoic acid ethyl ester
3-[3-(α,α-ジメチル-β-オキソフェネチル)-1-シクロヘキセニル]プロピン酸エチル
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： C21H24O3
Molecular formula furigana： C21-H24-O3
Molecular weight： 324.420
InChI：
InChI=1S/C21H24O3/c1-4-24-19(22)14-13-16-9-8-12-18(15-16)21(2,3)20(23)17-10-6-5-7-11-17/h5-7,10-11,15,18H,4,8-9,12H2,1-3H3
InChI key：
OYUYUQLDXVIEJD-UHFFFAOYSA-N
SMILES：
CCOC(=O)C#CC1=CC(CCC1)C(C)(C)C(=O)c1ccccc1
Systematic name (3)：
- 3-[3-(α,α-ジメチル-β-オキソフェネチル)-1-シクロヘキセニル]プロピン酸エチル
- エチル 3-[3-(2-メチル-1-オキソ-1-フェニルプロパン-2-イル)シクロヘキサ-1-エン-1-イル]プロパ-2-イノアート
- ethyl 3-[3-(2-methyl-1-oxo-1-phenylpropan-2-yl)cyclohex-1-en-1-yl]prop-2-ynoate
- 3-[3-(α,α-Dimethyl-β-oxophenethyl)-1-cyclohexenyl]propynoic acid ethyl ester
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