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SMILES: CCCC(C)C(=O)CC Canonical SMILES: CCCC(C(=O)CC)C InChI: InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h7H,4-6H2,1-3H3 InChIKey: MVLRILUUXLBENA-UHFFFAOYSA-N
CBID:112362 http://www.chembase.cn/molecule-112362.html