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N-BENZYL-N'-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-THIOUREA
SpectraBase Compound ID 8nS0wgeCWII
InChI InChI=1S/C22H28N2O9S/c1-12(25)29-11-17-18(30-13(2)26)19(31-14(3)27)20(32-15(4)28)21(33-17)24-22(34)23-10-16-8-6-5-7-9-16/h5-9,17-21H,10-11H2,1-4H3,(H2,23,24,34)/t17-,18-,19+,20+,21+/m1/s1
InChIKey VVSYQGBORQWETA-MJCUULBUSA-N
Mol Weight 496.53 g/mol
Molecular Formula C22H28N2O9S
Exact Mass 496.151552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWUn0pg6iOz
Name N-BENZYL-N'-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-THIOUREA
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28N2O9S
InChI InChI=1S/C22H28N2O9S/c1-12(25)29-11-17-18(30-13(2)26)19(31-14(3)27)20(32-15(4)28)21(33-17)24-22(34)23-10-16-8-6-5-7-9-16/h5-9,17-21H,10-11H2,1-4H3,(H2,23,24,34)/t17-,18-,19+,20+,21+/m1/s1
InChIKey VVSYQGBORQWETA-MJCUULBUSA-N
Literature Reference Author J.M.BENITO,C.O.MELLET,K.SADALAPURE,T.K.LINDHORST,J.DEFAYE,J. M.G.FERNANDEZ
Literature Reference Citation CARBOHYDR.RES.,320,37(1999)
Literature Reference DOI 10.1016/S0008-6215(99)00141-X
Molecular Weight 496.532 g/mol
Solvent CDCl3
Source File Reference UWRU5153