| SpectraBase Compound ID | 6Anl6JaPdoe |
|---|---|
| InChI | InChI=1S/C8H7NO4/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-5H,6H2 |
| InChIKey | CLHVOIIABJOYKN-UHFFFAOYSA-N |
| Mol Weight | 181.15 g/mol |
| Molecular Formula | C8H7NO4 |
| Exact Mass | 181.037508 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BexFnkIAd2n |
|---|---|
| Name | (4-Nitrophenoxy)acetaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.037507705 u |
| Formula | C8H7NO4 |
| InChI | InChI=1S/C8H7NO4/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-5H,6H2 |
| InChIKey | CLHVOIIABJOYKN-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC=C(C=C1)OCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937972 |