| SpectraBase Compound ID | 3l0XwDLbFYc |
|---|---|
| InChI | InChI=1S/C7H7BrO5/c1-11-7(12-2)5(9)3-4(8)6(10)13-7/h3H,1-2H3 |
| InChIKey | OXJHKNKYHFLFLX-UHFFFAOYSA-N |
| Mol Weight | 251.03 g/mol |
| Molecular Formula | C7H7BrO5 |
| Exact Mass | 249.947686 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C8A95YKqUFE |
|---|---|
| Name | 6,6-Dimethoxy-3-bromo-2H-pyran-2,5(6H)-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.947686320 u |
| Formula | C7H7BrO5 |
| InChI | InChI=1S/C7H7BrO5/c1-11-7(12-2)5(9)3-4(8)6(10)13-7/h3H,1-2H3 |
| InChIKey | OXJHKNKYHFLFLX-UHFFFAOYSA-N |
| Molecular Weight | 251.032 g/mol |
| SMILES | C1(C(=CC(C(O1)(OC)OC)=O)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.813364 |