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SMILES: CCCC(C)(O)C#C Canonical SMILES: CC(C#C)(CCC)O InChI: InChI=1S/C7H12O/c1-4-6-7(3,8)5-2/h2,8H,4,6H2,1,3H3 InChIKey: DTGUZRPEDLHAAO-UHFFFAOYSA-N
CBID:110100 http://www.chembase.cn/molecule-110100.html