| SpectraBase Compound ID | 25wmaEWRsxQ |
|---|---|
| InChI | InChI=1S/C6H5BrO4/c1-3(8)10-4-2-5(9)11-6(4)7/h2,6H,1H3 |
| InChIKey | MPPSNKUWIGDWES-UHFFFAOYSA-N |
| Mol Weight | 221.01 g/mol |
| Molecular Formula | C6H5BrO4 |
| Exact Mass | 219.937122 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 82GsrWWpWDw |
|---|---|
| Name | (2-Bromanyl-5-oxidanylidene-2H-furan-3-yl) ethanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.937121637 u |
| Formula | C6H5BrO4 |
| InChI | InChI=1S/C6H5BrO4/c1-3(8)10-4-2-5(9)11-6(4)7/h2,6H,1H3 |
| InChIKey | MPPSNKUWIGDWES-UHFFFAOYSA-N |
| Molecular Weight | 221.006 g/mol |
| SMILES | C1=C(C(Br)OC1=O)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985936 |