| SpectraBase Compound ID | 2YCZ1g8e1ga |
|---|---|
| InChI | InChI=1S/C6H12O4/c7-1-5-3-9-4-6(2-8)10-5/h5-8H,1-4H2 |
| InChIKey | DXBFGULPNNFLAV-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 | GLrEPTYj5YG |
|---|---|
| Name | 1,4-Dioxane-2,6-dimethanol |
| 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/c7-1-5-3-9-4-6(2-8)10-5/h5-8H,1-4H2 |
| InChIKey | DXBFGULPNNFLAV-UHFFFAOYSA-N |
| SMILES | C(O)C1OC(CO)COC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982022 |