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2,3,4,6-TETRA-O-ACETYL-N-(ISOTHIOURONIUM-ACETYL)-BETA-D-GLUCOPYRANOSYLAMINE-HYDROCHLORIDE
SpectraBase Compound ID LuwBqDwKQeO
InChI InChI=1S/C17H24ClN3O10S/c1-7(22)27-5-11-13(28-8(2)23)14(29-9(3)24)15(30-10(4)25)16(31-11)20-12(26)6-32-17(19)21-18/h11,13-16H,5-6H2,1-4H3,(H2,19,21)(H,20,26)/t11-,13-,14+,15-,16-/m1/s1
InChIKey LXJYNFKJZKUJRG-YMILTQATSA-N
Mol Weight 497.9 g/mol
Molecular Formula C17H24ClN3O10S
Exact Mass 497.087093 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSBLPzjlRcJ
Name 2,3,4,6-TETRA-O-ACETYL-N-(ISOTHIOURONIUM-ACETYL)-BETA-D-GLUCOPYRANOSYLAMINE-HYDROCHLORIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H24ClN3O10S
InChI InChI=1S/C17H24ClN3O10S/c1-7(22)27-5-11-13(28-8(2)23)14(29-9(3)24)15(30-10(4)25)16(31-11)20-12(26)6-32-17(19)21-18/h11,13-16H,5-6H2,1-4H3,(H2,19,21)(H,20,26)/t11-,13-,14+,15-,16-/m1/s1
InChIKey LXJYNFKJZKUJRG-YMILTQATSA-N
Literature Reference Author J.J.GARCIA-LOPEZ,F.SANTOYO-GONZALEZ,A.VARGAS-BERENGUEL,J.J.G IMENEZ-MARTINEZ
Literature Reference Citation CHEM.EUR.J.,5,1775(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990604)5:6<1775::aid-chem1775>3.0.co;2-2
Molecular Weight 497.905 g/mol
Solvent DMSO-D6
Source File Reference UWRU9695