| SpectraBase Compound ID | KJuUGCQXN5q |
|---|---|
| InChI | InChI=1S/C6H12O4/c7-1-5-3-10-6(2-8)4-9-5/h5-8H,1-4H2 |
| InChIKey | WHRYYSSZMQDPLV-UHFFFAOYSA-N |
| Mol Weight | 148.16 g/mol |
| Molecular Formula | C6H12O4 |
| Exact Mass | 148.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7Tg7a0T6uYP |
|---|---|
| Name | 2,5-Dihydroxymethyl-1,4-dioxane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.073558862 u |
| Formula | C6H12O4 |
| InChI | InChI=1S/C6H12O4/c7-1-5-3-10-6(2-8)4-9-5/h5-8H,1-4H2 |
| InChIKey | WHRYYSSZMQDPLV-UHFFFAOYSA-N |
| SMILES | C1(CO)COC(CO)CO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97989 |