| SpectraBase Spectrum ID |
70mW6L3rzuQ |
| Name |
3,4-o-Acetyl-6-deoxy-6-iodo-1,2-o-isopropylidene-.beta.,D-fructofuranose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.017547945 u |
| Formula |
C13H19IO7 |
| InChI |
InChI=1S/C13H19IO7/c1-7(15)18-10-9(5-14)20-13(11(10)19-8(2)16)6-17-12(3,4)21-13/h9-11H,5-6H2,1-4H3 |
| InChIKey |
NIACFOKCNIJKBN-UHFFFAOYSA-N |
| Molecular Weight |
414.192 g/mol |
| SMILES |
C12(C(C(OC(=O)C)C(O2)CI)OC(=O)C)OC(C)(C)OC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948238 |
