| SpectraBase Compound ID | 8jUBWlYqPNa |
|---|---|
| InChI | InChI=1S/C11H21BrO4/c1-11(9-12)10-15-8-7-14-6-5-13-3-2-4-16-11/h2-10H2,1H3 |
| InChIKey | FJFDDHNTOMFQTN-UHFFFAOYSA-N |
| Mol Weight | 297.19 g/mol |
| Molecular Formula | C11H21BrO4 |
| Exact Mass | 296.062322 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 73wmNHd9lli |
|---|---|
| Name | 2-(Bromomethyl)-2-methyl-1,4,7,10-tetraoxacyclotridecane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.062322152 u |
| Formula | C11H21BrO4 |
| InChI | InChI=1S/C11H21BrO4/c1-11(9-12)10-15-8-7-14-6-5-13-3-2-4-16-11/h2-10H2,1H3 |
| InChIKey | FJFDDHNTOMFQTN-UHFFFAOYSA-N |
| SMILES | C1(OCCCOCCOCCOC1)(CBr)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.994249 |