| SpectraBase Compound ID | IRyUVhF8e2I |
|---|---|
| InChI | InChI=1S/C5H9BrO2/c6-4-5-7-2-1-3-8-5/h5H,1-4H2 |
| InChIKey | QAURNRYFMGYNRF-UHFFFAOYSA-N |
| Mol Weight | 181.03 g/mol |
| Molecular Formula | C5H9BrO2 |
| Exact Mass | 179.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DF9pRSZtVR |
|---|---|
| Name | 2-Bromomethyl-1,3-dioxane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.978592528 u |
| Formula | C5H9BrO2 |
| InChI | InChI=1S/C5H9BrO2/c6-4-5-7-2-1-3-8-5/h5H,1-4H2 |
| InChIKey | QAURNRYFMGYNRF-UHFFFAOYSA-N |
| Molecular Weight | 181.029 g/mol |
| SMILES | C1(OCCCO1)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907386 |