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SMILES: CCC(C)C(=O)C Canonical SMILES: CCC(C(=O)C)C InChI: InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3 InChIKey: UIHCLUNTQKBZGK-UHFFFAOYSA-N
CBID:150028 http://www.chembase.cn/molecule-150028.html