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SMILES: CC(C)CC(=O)Cc1ccccc1 Canonical SMILES: CC(CC(=O)Cc1ccccc1)C InChI: InChI=1S/C12H16O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 InChIKey: DTYGTEGDVPAKDA-UHFFFAOYSA-N
CBID:147436 http://www.chembase.cn/molecule-147436.html