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SMILES: n1(c(ccc1)C=O)CC#C Canonical SMILES: C#CCn1cccc1C=O InChI: InChI=1S/C8H7NO/c1-2-5-9-6-3-4-8(9)7-10/h1,3-4,6-7H,5H2 InChIKey: PTGZZDLIHWQCBN-UHFFFAOYSA-N
CBID:308601 http://www.chembase.cn/molecule-308601.html