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1-CHLOROMETHYL-4-N-(2-DEOXY-2-FLUORO-3,4-DI-O-ACETYL-BETA-1-L-FUCOPYRANOSYL)-1,4-DIAZONIABICYCLO-[2.2.2]-OCTANE-BISTRIFLATE

View entire compound with spectra: 2 NMR

1-CHLOROMETHYL-4-N-(2-DEOXY-2-FLUORO-3,4-DI-O-ACETYL-BETA-1-L-FUCOPYRANOSYL)-1,4-DIAZONIABICYCLO-[2.2.2]-OCTANE-BISTRIFLATE
SpectraBase Compound ID Eq0AaKnxpIX
InChI InChI=1S/C17H28ClFN2O5.2CHF3O3S/c1-11-15(25-12(2)22)16(26-13(3)23)14(19)17(24-11)21-7-4-20(10-18,5-8-21)6-9-21;2*2-1(3,4)8(5,6)7/h11,14-17H,4-10H2,1-3H3;2*(H,5,6,7)/q+2;;/p-2/t11-,14-,15+,16-,17-,20?,21?;;/m0../s1
InChIKey FROUPGIGMYLOQQ-GIALSVAUSA-L
Mol Weight 693.0 g/mol
Molecular Formula C19H28ClF7N2O11S2
Exact Mass 692.071127 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BnrlvyWK3ju
Name 1-CHLOROMETHYL-4-N-(2-DEOXY-2-FLUORO-3,4-DI-O-ACETYL-BETA-1-L-FUCOPYRANOSYL)-1,4-DIAZONIABICYCLO-[2.2.2]-OCTANE-BISTRIFLATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28ClF7N2O11S2
InChI InChI=1S/C17H28ClFN2O5.2CHF3O3S/c1-11-15(25-12(2)22)16(26-13(3)23)14(19)17(24-11)21-7-4-20(10-18,5-8-21)6-9-21;2*2-1(3,4)8(5,6)7/h11,14-17H,4-10H2,1-3H3;2*(H,5,6,7)/q+2;;/p-2/t11-,14-,15+,16-,17-,20?,21?;;/m0../s1
InChIKey FROUPGIGMYLOQQ-GIALSVAUSA-L
Literature Reference Author S.P.VINCENT,M.D.BURKART,C.Y.TSAI,Z.ZHANG,C.H.WONG
Literature Reference Citation J.ORG.CHEM.,64,5264(1999)
Literature Reference DOI 10.1021/jo990686h
Solvent CDCl3
Source File Reference UWSI41225