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SMILES: CC(C)(CC=C)C=O Canonical SMILES: C=CCC(C=O)(C)C InChI: InChI=1S/C7H12O/c1-4-5-7(2,3)6-8/h4,6H,1,5H2,2-3H3 InChIKey: DXSDIWHOOOBQTJ-UHFFFAOYSA-N
CBID:150217 http://www.chembase.cn/molecule-150217.html