| SpectraBase Compound ID | CsSePeneleL |
|---|---|
| InChI | InChI=1S/C5H9BrO2/c1-5(4-6)7-2-3-8-5/h2-4H2,1H3 |
| InChIKey | LADSNESNVGBQKO-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 | KluetW352Am |
|---|---|
| Name | 1,3-Dioxolane, 2-(bromomethyl)-2-methyl- |
| 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/c1-5(4-6)7-2-3-8-5/h2-4H2,1H3 |
| InChIKey | LADSNESNVGBQKO-UHFFFAOYSA-N |
| Molecular Weight | 181.029 g/mol |
| SMILES | CC1(OCCO1)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91409 |