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SMILES: CC(C(=O)CCC)(C)C Canonical SMILES: CCCC(=O)C(C)(C)C InChI: InChI=1S/C8H16O/c1-5-6-7(9)8(2,3)4/h5-6H2,1-4H3 InChIKey: PYCHXHVFOZBVEY-UHFFFAOYSA-N
CBID:29759 http://www.chembase.cn/molecule-29759.html