| SpectraBase Spectrum ID |
CqegGPZbY3p |
| Name |
2-Acetamido-1-S-acetyl-3,4,6-tri-o-acetyl-2-deoxy-1-thio-.beta.-D-glucopyranose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.109352490 u |
| Formula |
C16H23NO9S |
| InChI |
InChI=1S/C16H23NO9S/c1-7(18)17-13-15(25-10(4)21)14(24-9(3)20)12(6-23-8(2)19)26-16(13)27-11(5)22/h12-16H,6H2,1-5H3,(H,17,18) |
| InChIKey |
ZFVQIBIWKBDEPG-UHFFFAOYSA-N |
| Molecular Weight |
405.418 g/mol |
| SMILES |
C(OC1C(OC(C)=O)C(C(SC(=O)C)OC1COC(=O)C)NC(=O)C)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979179 |
