| SpectraBase Compound ID | BOLJnpxgAUJ |
|---|---|
| InChI | InChI=1S/C7H5BrN2O3/c8-6-2-1-5(10(12)13)3-7(6)9-4-11/h1-4H,(H,9,11) |
| InChIKey | ATYLSWFOQJOHCN-UHFFFAOYSA-N |
| Mol Weight | 245.03 g/mol |
| Molecular Formula | C7H5BrN2O3 |
| Exact Mass | 243.948355 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jtv5YhdMGCi |
|---|---|
| Name | 1-Formylamino-2-bromo-5-nitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.948355026 u |
| Formula | C7H5BrN2O3 |
| InChI | InChI=1S/C7H5BrN2O3/c8-6-2-1-5(10(12)13)3-7(6)9-4-11/h1-4H,(H,9,11) |
| InChIKey | ATYLSWFOQJOHCN-UHFFFAOYSA-N |
| Molecular Weight | 245.032 g/mol |
| SMILES | C1(N(=O)=O)=CC(NC=O)=C(Br)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930001 |