| SpectraBase Compound ID | AXnMHUsiBbG |
|---|---|
| InChI | InChI=1S/C5H9BrO3/c1-2-8-5(7)9-4-3-6/h2-4H2,1H3 |
| InChIKey | CYYNKJKYWYSECY-UHFFFAOYSA-N |
| Mol Weight | 197.03 g/mol |
| Molecular Formula | C5H9BrO3 |
| Exact Mass | 195.973507 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6c2HqiJD08Z |
|---|---|
| Name | 2-Bromoethyl ethyl carbonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.973507147 u |
| Formula | C5H9BrO3 |
| InChI | InChI=1S/C5H9BrO3/c1-2-8-5(7)9-4-3-6/h2-4H2,1H3 |
| InChIKey | CYYNKJKYWYSECY-UHFFFAOYSA-N |
| Molecular Weight | 197.028 g/mol |
| SMILES | C(=O)(OCC)OCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852873 |