| SpectraBase Compound ID | Hm41PFu1USe |
|---|---|
| InChI | InChI=1S/C13H6Br2O2/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11/h1-6H |
| InChIKey | AOOPYZBRENDMPN-UHFFFAOYSA-N |
| Mol Weight | 354.0 g/mol |
| Molecular Formula | C13H6Br2O2 |
| Exact Mass | 351.873455 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FuhXjIUwwLH |
|---|---|
| Name | 2,7-Dibromoxanthone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.873455431 u |
| Formula | C13H6Br2O2 |
| InChI | InChI=1S/C13H6Br2O2/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11/h1-6H |
| InChIKey | AOOPYZBRENDMPN-UHFFFAOYSA-N |
| Molecular Weight | 353.997 g/mol |
| SMILES | C1(C2=C(C=CC(=C2)Br)OC2=C1C=C(C=C2)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921452 |