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(2R,3S,4R,5S,6S)-4-[4'-(4''-HYDROXYBUTYL)-1H-1',2',3'-TRIAZOL-1'-YL]-2,6-BIS-(HYDROXYMETHYL)-7,7-DIMETHYL-OXEPANE-3,5-DIOL

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(2R,3S,4R,5S,6S)-4-[4'-(4''-HYDROXYBUTYL)-1H-1',2',3'-TRIAZOL-1'-YL]-2,6-BIS-(HYDROXYMETHYL)-7,7-DIMETHYL-OXEPANE-3,5-DIOL
SpectraBase Compound ID FLz50edHRCi
InChI InChI=1S/C16H29N3O6/c1-16(2)11(8-21)14(23)13(15(24)12(9-22)25-16)19-7-10(17-18-19)5-3-4-6-20/h7,11-15,20-24H,3-6,8-9H2,1-2H3/t11-,12+,13+,14-,15+/m0/s1
InChIKey WQZMHQOZRXKPJO-VYDRJRHOSA-N
Mol Weight 359.42 g/mol
Molecular Formula C16H29N3O6
Exact Mass 359.205636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fy8IVjVS9sP
Name (2R,3S,4R,5S,6S)-4-[4'-(4''-HYDROXYBUTYL)-1H-1',2',3'-TRIAZOL-1'-YL]-2,6-BIS-(HYDROXYMETHYL)-7,7-DIMETHYL-OXEPANE-3,5-DIOL
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H29N3O6
InChI InChI=1S/C16H29N3O6/c1-16(2)11(8-21)14(23)13(15(24)12(9-22)25-16)19-7-10(17-18-19)5-3-4-6-20/h7,11-15,20-24H,3-6,8-9H2,1-2H3/t11-,12+,13+,14-,15+/m0/s1
InChIKey WQZMHQOZRXKPJO-VYDRJRHOSA-N
Literature Reference Author L.BOUCHE,H.U.REISSIG
Literature Reference Citation EUR.J.ORG.CHEM.,2014,3697(2014)
Literature Reference DOI 10.1002/ejoc.201402191
Molecular Weight 359.423 g/mol
Solvent CD3OD
Source File Reference UWIR18950