| SpectraBase Compound ID | EJ63wGzkNC3 |
|---|---|
| InChI | InChI=1S/C10H20O4/c1-2-3-4-9-13-7-10(5-11,6-12)8-14-9/h9,11-12H,2-8H2,1H3 |
| InChIKey | PHWLXRBHNQZMOD-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C10H20O4 |
| Exact Mass | 204.136159 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FcofE0QRabu |
|---|---|
| Name | 1,3-Dioxane-5,5-dimethanol, 2-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.136159120 u |
| Formula | C10H20O4 |
| InChI | InChI=1S/C10H20O4/c1-2-3-4-9-13-7-10(5-11,6-12)8-14-9/h9,11-12H,2-8H2,1H3 |
| InChIKey | PHWLXRBHNQZMOD-UHFFFAOYSA-N |
| Molecular Weight | 204.266 g/mol |
| SMILES | CCCCC1OCC(CO1)(CO)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933744 |