John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=86N7iVSoLs6 SpectraBase Spectrum ID=2vzFZvhU39H

(accessed ).
(1R,3R,5R,6R,9R,10R,13S,16R)-5,9,13-TRIMETHYL-3-(TRIFLUOROMETHYL)-2,4,14,15,17-PENTAOXAPENTACYCLO-[11.3.1.0.(3,5)0.(6,16)0(10,16)]-HEPTADECANE
SpectraBase Compound ID 86N7iVSoLs6
InChI InChI=1S/C16H21F3O5/c1-8-4-5-10-13(3)15(22-13,16(17,18)19)21-11-14(10)9(8)6-7-12(2,20-11)23-24-14/h8-11H,4-7H2,1-3H3/t8-,9+,10+,11+,12-,13-,14-,15+/m1/s1
InChIKey BVGQGFWOTFOTCN-FKTNEPFFSA-N
Mol Weight 350.33 g/mol
Molecular Formula C16H21F3O5
Exact Mass 350.134109 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vzFZvhU39H
Name (1R,3R,5R,6R,9R,10R,13S,16R)-5,9,13-TRIMETHYL-3-(TRIFLUOROMETHYL)-2,4,14,15,17-PENTAOXAPENTACYCLO-[11.3.1.0.(3,5)0.(6,16)0(10,16)]-HEPTADECANE
Compound Number 11
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21F3O5
InChI InChI=1S/C16H21F3O5/c1-8-4-5-10-13(3)15(22-13,16(17,18)19)21-11-14(10)9(8)6-7-12(2,20-11)23-24-14/h8-11H,4-7H2,1-3H3/t8-,9+,10+,11+,12-,13-,14-,15+/m1/s1
InChIKey BVGQGFWOTFOTCN-FKTNEPFFSA-N
Literature Reference Author F.GRELLEPOIS,F.CHORKI,B.CROUSSE,M.OUREVITCH,D.B.DELPON,J.P.B EGUE
Literature Reference Citation J.ORG.CHEM.,67,1253(2002)
Literature Reference DOI 10.1021/jo016091f
Solvent CDCl3
Source File Reference UWLU24922
SpectraBase Batch ID 5AY1moka9tK