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SMILES: O=C(C(C)C)C(C)C Canonical SMILES: CC(C(=O)C(C)C)C InChI: InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3 InChIKey: HXVNBWAKAOHACI-UHFFFAOYSA-N
CBID:88764 http://www.chembase.cn/molecule-88764.html