| SpectraBase Spectrum ID |
2LQOIMNRM7i |
| Name |
1-Deoxy-1-[3-(4-phenoxyphenyl)-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 |
574.162116338 u |
| Formula |
C27H30N2O10S |
| InChI |
InChI=1S/C27H30N2O10S/c1-15(30)34-14-22-23(35-16(2)31)24(36-17(3)32)25(37-18(4)33)26(39-22)29-27(40)28-19-10-12-21(13-11-19)38-20-8-6-5-7-9-20/h5-13,22-26H,14H2,1-4H3,(H2,28,29,40) |
| InChIKey |
RPGZUPIDELFEPL-UHFFFAOYSA-N |
| Molecular Weight |
574.601 g/mol |
| SMILES |
N(C1OC(C(C(C1OC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)C(Nc1ccc(cc1)Oc1ccccc1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957561 |
![1-Deoxy-1-[3-(4-phenoxyphenyl)-2-thioureido]-B-D-glucopyranose 2,3,4,6-](/api/spectrum/2LQOIMNRM7i/structure.png?h=300&w=458 "1-Deoxy-1-[3-(4-phenoxyphenyl)-2-thioureido]-B-D-glucopyranose 2,3,4,6-")
