| SpectraBase Spectrum ID |
18HVMvxqlkq |
| Name |
1-(3-Benzyl-2-thioureido)-1-deoxy-B-D-glucopyranose 2,3,4,6- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.151551655 u |
| 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) |
| InChIKey |
VVSYQGBORQWETA-UHFFFAOYSA-N |
| Molecular Weight |
496.531 g/mol |
| SMILES |
N(C1OC(C(C(C1OC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)C(NCc1ccccc1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968328 |
