| SpectraBase Compound ID | 4QXYDbGy5Ez |
|---|---|
| InChI | InChI=1S/C9H9N3O4/c1-2-5-10-8-4-3-7(11(13)14)6-9(8)12(15)16/h2-4,6,10H,1,5H2 |
| InChIKey | XTYIONQQZHXKNB-UHFFFAOYSA-N |
| Mol Weight | 223.19 g/mol |
| Molecular Formula | C9H9N3O4 |
| Exact Mass | 223.059306 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EtoVPioQ2va |
|---|---|
| Name | 2,4-Dinitro-N-prop-2-enyl-aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.059305778 u |
| Formula | C9H9N3O4 |
| InChI | InChI=1S/C9H9N3O4/c1-2-5-10-8-4-3-7(11(13)14)6-9(8)12(15)16/h2-4,6,10H,1,5H2 |
| InChIKey | XTYIONQQZHXKNB-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=C(NCC=C)C=CC(=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928037 |