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SMILES: CCCC(=O)CC(C)C Canonical SMILES: CCCC(=O)CC(C)C InChI: InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3 InChIKey: AKRJXOYALOGLHQ-UHFFFAOYSA-N
CBID:107939 http://www.chembase.cn/molecule-107939.html