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2,3,4,6-TETRA-O-ACETYL-N-(ISOTHIOURONIUM-ACETYL)-ALPHA-D-MANNOPYRANOSYLAMINE-HYDROCHLORIDE
SpectraBase Compound ID HXCJ8cyA0hc
InChI InChI=1S/C17H25N3O10S.ClH/c1-7(21)26-5-11-13(27-8(2)22)14(28-9(3)23)15(29-10(4)24)16(30-11)20-12(25)6-31-17(18)19;/h11,13-16H,5-6H2,1-4H3,(H3,18,19)(H,20,25);1H/t11-,13-,14+,15+,16+;/m1./s1
InChIKey IXRPHCKJFIVCOB-RNWWPRGLSA-N
Mol Weight 499.92 g/mol
Molecular Formula C17H26ClN3O10S
Exact Mass 499.102743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ds4ccixoJZo
Name 2,3,4,6-TETRA-O-ACETYL-N-(ISOTHIOURONIUM-ACETYL)-ALPHA-D-MANNOPYRANOSYLAMINE-HYDROCHLORIDE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H26ClN3O10S
InChI InChI=1S/C17H25N3O10S.ClH/c1-7(21)26-5-11-13(27-8(2)22)14(28-9(3)23)15(29-10(4)24)16(30-11)20-12(25)6-31-17(18)19;/h11,13-16H,5-6H2,1-4H3,(H3,18,19)(H,20,25);1H/t11-,13-,14+,15+,16+;/m1./s1
InChIKey IXRPHCKJFIVCOB-RNWWPRGLSA-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 499.921 g/mol
Solvent DMSO-D6
Source File Reference UWRU9698