| SpectraBase Compound ID | C4I9OOWNa29 |
|---|---|
| InChI | InChI=1S/C13H9N3O5/c17-13(9-4-2-1-3-5-9)14-11-7-6-10(15(18)19)8-12(11)16(20)21/h1-8H,(H,14,17) |
| InChIKey | QPNCHZUNVKDURU-UHFFFAOYSA-N |
| Mol Weight | 287.23 g/mol |
| Molecular Formula | C13H9N3O5 |
| Exact Mass | 287.05422 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8306IsR7qbj |
|---|---|
| Name | 2',4'-Dinitrobenzanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.054220397 u |
| Formula | C13H9N3O5 |
| InChI | InChI=1S/C13H9N3O5/c17-13(9-4-2-1-3-5-9)14-11-7-6-10(15(18)19)8-12(11)16(20)21/h1-8H,(H,14,17) |
| InChIKey | QPNCHZUNVKDURU-UHFFFAOYSA-N |
| SMILES | C1(C(NC2=CC=C(C=C2N(=O)=O)N(=O)=O)=O)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968449 |