| SpectraBase Compound ID | ESYQsEmEoeW |
|---|---|
| InChI | InChI=1S/C6H14O5/c7-2-4(9)1-5(10)6(11)3-8/h4-11H,1-3H2 |
| InChIKey | RUIACMUVCHMOMF-UHFFFAOYSA-N |
| Mol Weight | 166.17 g/mol |
| Molecular Formula | C6H14O5 |
| Exact Mass | 166.084124 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ANuFxOI7tf |
|---|---|
| Name | 3-Deoxy-D-mannitol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.084123546 u |
| Formula | C6H14O5 |
| InChI | InChI=1S/C6H14O5/c7-2-4(9)1-5(10)6(11)3-8/h4-11H,1-3H2 |
| InChIKey | RUIACMUVCHMOMF-UHFFFAOYSA-N |
| Molecular Weight | 166.173 g/mol |
| SMILES | C(O)C(C(O)CC(O)CO)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898746 |