Chem
J-GLOBAL ID：200907098419646547
Nikkaji number：J2.431.963F
4-Acetylbenzoic acid isopropyl ester
4-アセチル安息香酸イソプロピル
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： C12H14O3
Molecular formula furigana： C12-H14-O3
Molecular weight： 206.241
InChI：
InChI=1S/C12H14O3/c1-8(2)15-12(14)11-6-4-10(5-7-11)9(3)13/h4-8H,1-3H3
InChI key：
DQQVADFLIZSTDK-UHFFFAOYSA-N
SMILES：
CC(C)OC(=O)c1ccc(cc1)C(=O)C
Systematic name (3)：
- 4-アセチル安息香酸イソプロピル
- プロパン-2-イル 4-アセチルベンゾアート
- propan-2-yl 4-acetylbenzoate
- 4-Acetylbenzoic acid isopropyl ester
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