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SMILES: O=C(CC(CC)C)C Canonical SMILES: CCC(CC(=O)C)C InChI: InChI=1S/C7H14O/c1-4-6(2)5-7(3)8/h6H,4-5H2,1-3H3 InChIKey: XUPXMIAWKPTZLZ-UHFFFAOYSA-N
CBID:308523 http://www.chembase.cn/molecule-308523.html