| SpectraBase Compound ID | DYaiVJY2h1k |
|---|---|
| InChI | InChI=1S/C10H9NO5/c1-7(12)16-6-10(13)8-4-2-3-5-9(8)11(14)15/h2-5H,6H2,1H3 |
| InChIKey | RSPDFTOYBUUVST-UHFFFAOYSA-N |
| Mol Weight | 223.18 g/mol |
| Molecular Formula | C10H9NO5 |
| Exact Mass | 223.048072 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DJg8BRnSxsc |
|---|---|
| Name | Ethanone, 2-acetoxy-1-(2-nitrophenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.048072389 u |
| Formula | C10H9NO5 |
| InChI | InChI=1S/C10H9NO5/c1-7(12)16-6-10(13)8-4-2-3-5-9(8)11(14)15/h2-5H,6H2,1H3 |
| InChIKey | RSPDFTOYBUUVST-UHFFFAOYSA-N |
| Molecular Weight | 223.184 g/mol |
| SMILES | C1(N(=O)=O)=CC=CC=C1C(COC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943796 |