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(2S,3S,4R,5S,6S)-2,6-BIS-(HYDROXYMETHYL)-7,7-DIMETHYL-4-(4'-PHENYL-1'H-1',2',3'-TRIAZOL-1'-YL)-OXEPANE-3,5-DIOL
SpectraBase Compound ID 7Fuj5Mmhta3
InChI InChI=1S/C18H25N3O5/c1-18(2)12(9-22)16(24)15(17(25)14(10-23)26-18)21-8-13(19-20-21)11-6-4-3-5-7-11/h3-8,12,14-17,22-25H,9-10H2,1-2H3/t12-,14-,15+,16-,17+/m0/s1
InChIKey BXFRXTAMSXKIQL-BTYMGIQYSA-N
Mol Weight 363.41 g/mol
Molecular Formula C18H25N3O5
Exact Mass 363.179421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AF4U0ded0er
Name (2S,3S,4R,5S,6S)-2,6-BIS-(HYDROXYMETHYL)-7,7-DIMETHYL-4-(4'-PHENYL-1'H-1',2',3'-TRIAZOL-1'-YL)-OXEPANE-3,5-DIOL
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H25N3O5
InChI InChI=1S/C18H25N3O5/c1-18(2)12(9-22)16(24)15(17(25)14(10-23)26-18)21-8-13(19-20-21)11-6-4-3-5-7-11/h3-8,12,14-17,22-25H,9-10H2,1-2H3/t12-,14-,15+,16-,17+/m0/s1
InChIKey BXFRXTAMSXKIQL-BTYMGIQYSA-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 363.414 g/mol
Solvent CD3OD
Source File Reference UWIR18949