| SpectraBase Compound ID | E2en1RULL31 |
|---|---|
| InChI | InChI=1S/C8H8BrNO4/c1-13-7-4-6(10(11)12)8(14-2)3-5(7)9/h3-4H,1-2H3 |
| InChIKey | BXOPAVIIEJMHQJ-UHFFFAOYSA-N |
| Mol Weight | 262.06 g/mol |
| Molecular Formula | C8H8BrNO4 |
| Exact Mass | 260.963671 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5VnFivc6rc2 |
|---|---|
| Name | 1-Bromo-2,5-dimethoxy-4-nitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.963670738 u |
| Formula | C8H8BrNO4 |
| InChI | InChI=1S/C8H8BrNO4/c1-13-7-4-6(10(11)12)8(14-2)3-5(7)9/h3-4H,1-2H3 |
| InChIKey | BXOPAVIIEJMHQJ-UHFFFAOYSA-N |
| Molecular Weight | 262.059 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)N(=O)=O)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951273 |