| SpectraBase Compound ID | 3VTGC6suyLV |
|---|---|
| InChI | InChI=1S/C9H8N2O4/c1-6(13)10-8-4-2-3-7(5-12)9(8)11(14)15/h2-5H,1H3,(H,10,13) |
| InChIKey | KIWWXCNGYYHVGE-UHFFFAOYSA-N |
| Mol Weight | 208.17 g/mol |
| Molecular Formula | C9H8N2O4 |
| Exact Mass | 208.048407 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3V4z8eTQRxx |
|---|---|
| Name | 3-Acetylamino-2-nitrobenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.048406742 u |
| Formula | C9H8N2O4 |
| InChI | InChI=1S/C9H8N2O4/c1-6(13)10-8-4-2-3-7(5-12)9(8)11(14)15/h2-5H,1H3,(H,10,13) |
| InChIKey | KIWWXCNGYYHVGE-UHFFFAOYSA-N |
| Molecular Weight | 208.173 g/mol |
| SMILES | C1(N(=O)=O)=C(NC(=O)C)C=CC=C1C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987208 |