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SMILES: O1C(C(OB1c1c(cccc1)CBr)(C)C)(C)C Canonical SMILES: BrCc1ccccc1B1OC(C(O1)(C)C)(C)C InChI: InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-8H,9H2,1-4H3 InChIKey: ROIXSNLOYHDYBP-UHFFFAOYSA-N
CBID:74723 http://www.chembase.cn/molecule-74723.html