| SpectraBase Compound ID | FKt4T2EDicb |
|---|---|
| InChI | InChI=1S/C6H11BrO3/c1-8-6-5(7)4-9-2-3-10-6/h5-6H,2-4H2,1H3 |
| InChIKey | LDRJYPXLENWDEZ-UHFFFAOYSA-N |
| Mol Weight | 211.05 g/mol |
| Molecular Formula | C6H11BrO3 |
| Exact Mass | 209.989157 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2jgaHAbBaSG |
|---|---|
| Name | 6-Bromo-5-methoxy-1,4-dioxepane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.989157211 u |
| Formula | C6H11BrO3 |
| InChI | InChI=1S/C6H11BrO3/c1-8-6-5(7)4-9-2-3-10-6/h5-6H,2-4H2,1H3 |
| InChIKey | LDRJYPXLENWDEZ-UHFFFAOYSA-N |
| Molecular Weight | 211.055 g/mol |
| SMILES | C1(C(OCCOC1)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979848 |