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SMILES: C1(CCC(=O)CC1)C#N Canonical SMILES: N#CC1CCC(=O)CC1 InChI: InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h6H,1-4H2 InChIKey: QIWQJGMBIABGRX-UHFFFAOYSA-N
CBID:70737 http://www.chembase.cn/molecule-70737.html