| SpectraBase Compound ID | AfFUShUjFCJ |
|---|---|
| InChI | InChI=1S/C9H8N2O3/c12-6-2-5-10-8-3-1-4-9(7-8)11(13)14/h1-7,10H/b5-2+ |
| InChIKey | HZDABJCEMVPWFE-GORDUTHDSA-N |
| Mol Weight | 192.17 g/mol |
| Molecular Formula | C9H8N2O3 |
| Exact Mass | 192.053492 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 64IDgnGyN7Z |
|---|---|
| Name | .beta.-(m-Nitrophenylamino)acrolein |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.053492123 u |
| Formula | C9H8N2O3 |
| InChI | InChI=1S/C9H8N2O3/c12-6-2-5-10-8-3-1-4-9(7-8)11(13)14/h1-7,10H/b5-2+ |
| InChIKey | HZDABJCEMVPWFE-GORDUTHDSA-N |
| Molecular Weight | 192.174 g/mol |
| SMILES | C1(N(=O)=O)=CC(N\C=C\C=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954652 |