| SpectraBase Compound ID | BIlf41sktuQ |
|---|---|
| InChI | InChI=1S/C6H12O3/c1-6(2)8-3-5(7)4-9-6/h5,7H,3-4H2,1-2H3 |
| InChIKey | CGNOMSJAJQUXAT-UHFFFAOYSA-N |
| Mol Weight | 132.16 g/mol |
| Molecular Formula | C6H12O3 |
| Exact Mass | 132.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CQIvFEz7A1k |
|---|---|
| Name | 1,3-Dioxane, 2,2-dimethyl-5-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.078644243 u |
| Formula | C6H12O3 |
| InChI | InChI=1S/C6H12O3/c1-6(2)8-3-5(7)4-9-6/h5,7H,3-4H2,1-2H3 |
| InChIKey | CGNOMSJAJQUXAT-UHFFFAOYSA-N |
| SMILES | CC1(OCC(CO1)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939689 |