| SpectraBase Spectrum ID |
5LaRLnQ9r2u |
| Name |
1-Deoxy-1-[3-(2-methoxyphenyl)-2-thioureido]-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 |
512.146466274 u |
| Formula |
C22H28N2O10S |
| InChI |
InChI=1S/C22H28N2O10S/c1-11(25)30-10-17-18(31-12(2)26)19(32-13(3)27)20(33-14(4)28)21(34-17)24-22(35)23-15-8-6-7-9-16(15)29-5/h6-9,17-21H,10H2,1-5H3,(H2,23,24,35) |
| InChIKey |
WNCPLIVYXFPXCH-UHFFFAOYSA-N |
| Molecular Weight |
512.530 g/mol |
| SMILES |
N(C1OC(C(C(C1OC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)C(Nc1ccccc1OC)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968267 |
![1-Deoxy-1-[3-(2-methoxyphenyl)-2-thioureido]-B-D-glucopyranose 2,3,4,6-](/api/spectrum/5LaRLnQ9r2u/structure.png?h=300&w=458 "1-Deoxy-1-[3-(2-methoxyphenyl)-2-thioureido]-B-D-glucopyranose 2,3,4,6-")
