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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Bg3hqU3uDa
Name 1,1,1-TRIFLUORO-3-HEXYLOXYPROPANE-2,2-DIOL
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H17F3O3
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
Literature Reference Author C.E.WHEELOCK,M.E.COLVIN,I.UEMURA,M.M.OLMSTEAD,J.R.SANBORN,Y. NAKAGAWA,A.D.JONES,B
Literature Reference Citation J.MED.CHEM.,45,5576(2002)
Literature Reference DOI 10.1021/jm020072w
Molecular Weight 230.227 g/mol
Sample ID 65678
Solvent CDCl3