| SpectraBase Spectrum ID |
IOUL2aitVwP |
| Name |
1-[3-(2-Bromophenyl)-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 |
560.046414558 u |
| Formula |
C21H25BrN2O9S |
| InChI |
InChI=1S/C21H25BrN2O9S/c1-10(25)29-9-16-17(30-11(2)26)18(31-12(3)27)19(32-13(4)28)20(33-16)24-21(34)23-15-8-6-5-7-14(15)22/h5-8,16-20H,9H2,1-4H3,(H2,23,24,34) |
| InChIKey |
PHDLJLBCUHARPE-UHFFFAOYSA-N |
| Molecular Weight |
561.400 g/mol |
| SMILES |
N(C1OC(C(C(C1OC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)C(Nc1c(cccc1)Br)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964195 |
![1-[3-(2-Bromophenyl)-2-thioureido]-1-deoxy-B-D-glucopyranose 2,3,4,6-](/api/spectrum/IOUL2aitVwP/structure.png?h=300&w=458 "1-[3-(2-Bromophenyl)-2-thioureido]-1-deoxy-B-D-glucopyranose 2,3,4,6-")
