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[1-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-1,2,4-TRIAZOL-5-YL]-DIMETHYL-(PYRIDIN-4-YL)-AMMONIUM-CHLORIDE
SpectraBase Compound ID 63vBfBLDUGa
InChI InChI=1S/C23H30N5O9.ClH/c1-13(29)33-11-18-19(34-14(2)30)20(35-15(3)31)21(36-16(4)32)22(37-18)27-23(25-12-26-27)28(5,6)17-7-9-24-10-8-17;/h7-10,12,18-22H,11H2,1-6H3;1H/q+1;/p-1/t18-,19-,20+,21-,22-;/m0./s1
InChIKey CCNKRTPSCAAWBB-FUULQFTFSA-M
Mol Weight 555.97 g/mol
Molecular Formula C23H30ClN5O9
Exact Mass 555.173205 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUaYEG4fQkJ
Name [1-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-1,2,4-TRIAZOL-5-YL]-DIMETHYL-(PYRIDIN-4-YL)-AMMONIUM-CHLORIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H30ClN5O9
InChI InChI=1S/C23H30N5O9.ClH/c1-13(29)33-11-18-19(34-14(2)30)20(35-15(3)31)21(36-16(4)32)22(37-18)27-23(25-12-26-27)28(5,6)17-7-9-24-10-8-17;/h7-10,12,18-22H,11H2,1-6H3;1H/q+1;/p-1/t18-,19-,20+,21-,22-;/m0./s1
InChIKey CCNKRTPSCAAWBB-FUULQFTFSA-M
Literature Reference Author M.J.CAMARASA,F.G.DELASHERAS
Literature Reference Citation J.HETCYCL.CHEM.,20,1307(1983)
Literature Reference DOI 10.1002/jhet.5570200531
Molecular Weight 555.972 g/mol
Solvent DMSO-D6
Source File Reference UWED8100