| SpectraBase Spectrum ID |
7R3ZdNrURAY |
| Name |
1-Deoxy-1-[3-(m-tolyl)-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 |
496.151551655 u |
| Formula |
C22H28N2O9S |
| InChI |
InChI=1S/C22H28N2O9S/c1-11-7-6-8-16(9-11)23-22(34)24-21-20(32-15(5)28)19(31-14(4)27)18(30-13(3)26)17(33-21)10-29-12(2)25/h6-9,17-21H,10H2,1-5H3,(H2,23,24,34) |
| InChIKey |
YGPIWLLWGXTPSY-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(Nc1cccc(c1)C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967188 |
![1-Deoxy-1-[3-(m-tolyl)-2-thioureido]-B-D-glucopyranose 2,3,4,6-](/api/spectrum/7R3ZdNrURAY/structure.png?h=300&w=458 "1-Deoxy-1-[3-(m-tolyl)-2-thioureido]-B-D-glucopyranose 2,3,4,6-")
