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SMILES: O=C(C(C)(C)C)CC Canonical SMILES: CCC(=O)C(C)(C)C InChI: InChI=1S/C7H14O/c1-5-6(8)7(2,3)4/h5H2,1-4H3 InChIKey: VLNUTKMHYLQCQB-UHFFFAOYSA-N
CBID:85927 http://www.chembase.cn/molecule-85927.html