| SpectraBase Compound ID | Bdg76oLsuym |
|---|---|
| InChI | InChI=1S/C8H6BrNO5/c1-15-8(12)5-2-4(10(13)14)3-6(9)7(5)11/h2-3,11H,1H3 |
| InChIKey | CRMOPUPQMPLMFX-UHFFFAOYSA-N |
| Mol Weight | 276.04 g/mol |
| Molecular Formula | C8H6BrNO5 |
| Exact Mass | 274.942935 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FaR7AuwsS2A |
|---|---|
| Name | Methyl 3-bromo-2-hydroxy-5-nitrobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.942935292 u |
| Formula | C8H6BrNO5 |
| InChI | InChI=1S/C8H6BrNO5/c1-15-8(12)5-2-4(10(13)14)3-6(9)7(5)11/h2-3,11H,1H3 |
| InChIKey | CRMOPUPQMPLMFX-UHFFFAOYSA-N |
| SMILES | Oc1c(cc(cc1C(=O)OC)N(=O)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954403 |