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SMILES: CCC(O)C(C)C Canonical SMILES: CCC(C(C)C)O InChI: InChI=1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3 InChIKey: ISTJMQSHILQAEC-UHFFFAOYSA-N
CBID:107854 http://www.chembase.cn/molecule-107854.html