| SpectraBase Spectrum ID |
IgqW52XaPIQ |
| Name |
Methyl 6-deoxy-6-iodo-alpha-D-glucopyranoside, triacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.012462564 u |
| Formula |
C13H19IO8 |
| InChI |
InChI=1S/C13H19IO8/c1-6(15)19-10-9(5-14)22-13(18-4)12(21-8(3)17)11(10)20-7(2)16/h9-13H,5H2,1-4H3/t9-,10-,11+,12-,13+/m1/s1 |
| InChIKey |
WKINNAVZJINYDX-LBELIVKGSA-N |
| Molecular Weight |
430.191 g/mol |
| SMILES |
[C@]1(O[C@@]([C@]([C@@]([C@]1(OC(C)=O)[H])(OC(=O)C)[H])(OC(=O)C)[H])(CI)[H])(OC)[H] |
| Spectrum/Structure Validation Score (Raman) |
0.928238 |
