| SpectraBase Compound ID | NvvXa77Psa |
|---|---|
| InChI | InChI=1S/C5H8O3/c6-3-5-4-7-1-2-8-5/h3,5H,1-2,4H2 |
| InChIKey | SOYANKPFXHJUCE-UHFFFAOYSA-N |
| Mol Weight | 116.12 g/mol |
| Molecular Formula | C5H8O3 |
| Exact Mass | 116.047344 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 50ByfcApz7o |
|---|---|
| Name | 1,4-Dioxane-2-carboxaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.047344115 u |
| Formula | C5H8O3 |
| InChI | InChI=1S/C5H8O3/c6-3-5-4-7-1-2-8-5/h3,5H,1-2,4H2 |
| InChIKey | SOYANKPFXHJUCE-UHFFFAOYSA-N |
| Molecular Weight | 116.116 g/mol |
| SMILES | C1(COCCO1)C=O |
| Spectrum/Structure Validation Score (Raman) | 0.84667 |