| SpectraBase Compound ID | Fj7mBBuaAku |
|---|---|
| InChI | InChI=1S/C7H4BrNO5/c8-4-2-1-3(7(11)12)5(6(4)10)9(13)14/h1-2,10H,(H,11,12) |
| InChIKey | WZDACFAIFGWLTM-UHFFFAOYSA-N |
| Mol Weight | 262.01 g/mol |
| Molecular Formula | C7H4BrNO5 |
| Exact Mass | 260.927285 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ISK9yIkDMjD |
|---|---|
| Name | 4-Bromo-3-hydroxy-2-nitrobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.927285228 u |
| Formula | C7H4BrNO5 |
| InChI | InChI=1S/C7H4BrNO5/c8-4-2-1-3(7(11)12)5(6(4)10)9(13)14/h1-2,10H,(H,11,12) |
| InChIKey | WZDACFAIFGWLTM-UHFFFAOYSA-N |
| SMILES | C1(Br)=C(C(=C(C=C1)C(=O)O)N(=O)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846432 |