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SMILES: C(CCC=O)(C)C Canonical SMILES: O=CCCC(C)C InChI: InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3 InChIKey: JGEGJYXHCFUMJF-UHFFFAOYSA-N
CBID:174089 http://www.chembase.cn/molecule-174089.html