| SpectraBase Compound ID | FbAiaL12Dsj |
|---|---|
| InChI | InChI=1S/C7H6BrNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3 |
| InChIKey | NTKADLOYTKVXQN-UHFFFAOYSA-N |
| Mol Weight | 232.03 g/mol |
| Molecular Formula | C7H6BrNO3 |
| Exact Mass | 230.953106 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 50TWDL7J78Y |
|---|---|
| Name | 2-Bromo-5-nitroanisol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.953106054 u |
| Formula | C7H6BrNO3 |
| InChI | InChI=1S/C7H6BrNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3 |
| InChIKey | NTKADLOYTKVXQN-UHFFFAOYSA-N |
| Molecular Weight | 232.033 g/mol |
| SMILES | COC1=CC(N(=O)=O)=CC=C1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907911 |