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1,1,1-TRIFLUORO-3-HEXYLOXYPROPANE-2,2-DIOL
SpectraBase Compound ID GOzuiHBq2O8
InChI InChI=1S/C9H17F3O3/c1-2-3-4-5-6-15-7-8(13,14)9(10,11)12/h13-14H,2-7H2,1H3
InChIKey JCVUFUGZJWRARV-UHFFFAOYSA-N
Mol Weight 230.23 g/mol
Molecular Formula C9H17F3O3
Exact Mass 230.112979 g/mol
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Use of ab Initio Calculations To Predict the Biological Potency of Carboxylesterase Inhibitors Journal of Medicinal Chemistry 2002

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