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SMILES: C1(CC1)(CC(=O)C)C Canonical SMILES: CC(=O)CC1(C)CC1 InChI: InChI=1S/C7H12O/c1-6(8)5-7(2)3-4-7/h3-5H2,1-2H3 InChIKey: NBAOSBHFUTWCHC-UHFFFAOYSA-N
CBID:306627 http://www.chembase.cn/molecule-306627.html