| SpectraBase Compound ID | F5GOmS1Aoo0 |
|---|---|
| InChI | InChI=1S/C8H3BrN2O4/c9-5-1-3-4(2-6(5)11(14)15)8(13)10-7(3)12/h1-2H,(H,10,12,13) |
| InChIKey | YLGNUZYLLNKCPD-UHFFFAOYSA-N |
| Mol Weight | 271.03 g/mol |
| Molecular Formula | C8H3BrN2O4 |
| Exact Mass | 269.92762 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HrLewP8jrl7 |
|---|---|
| Name | 5-Bromo-6-nitro-1H-isoindole-1,3(2H)-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.927619581 u |
| Formula | C8H3BrN2O4 |
| InChI | InChI=1S/C8H3BrN2O4/c9-5-1-3-4(2-6(5)11(14)15)8(13)10-7(3)12/h1-2H,(H,10,12,13) |
| InChIKey | YLGNUZYLLNKCPD-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC2=C(C=C1N(=O)=O)C(=O)NC2=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984524 |