| SpectraBase Compound ID | 89U7rQul2EC |
|---|---|
| InChI | InChI=1S/C10H6BrNO3/c11-7-8(13)5-3-1-2-4-6(5)12-10(15)9(7)14/h1-4,13H,(H,12,14,15) |
| InChIKey | XCBSTIBNQJTQER-UHFFFAOYSA-N |
| Mol Weight | 268.07 g/mol |
| Molecular Formula | C10H6BrNO3 |
| Exact Mass | 266.953106 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 95H4dialIUu |
|---|---|
| Name | 1H-1-Benzazepine-2,5-dione, 4-bromo-3-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.953106054 u |
| Formula | C10H6BrNO3 |
| InChI | InChI=1S/C10H6BrNO3/c11-7-8(13)5-3-1-2-4-6(5)12-10(15)9(7)14/h1-4,13H,(H,12,14,15) |
| InChIKey | XCBSTIBNQJTQER-UHFFFAOYSA-N |
| SMILES | C1(O)=C(Br)C(=O)C(=O)NC2=CC=CC=C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874192 |