| SpectraBase Compound ID | KJC2maFTs4E |
|---|---|
| InChI | InChI=1S/C11H9NO5/c1-2-7-17-11(14)10(13)8-3-5-9(6-4-8)12(15)16/h2-6H,1,7H2 |
| InChIKey | MASITMJMMLPRTG-UHFFFAOYSA-N |
| Mol Weight | 235.19 g/mol |
| Molecular Formula | C11H9NO5 |
| Exact Mass | 235.048072 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JyTTxWcLJhD |
|---|---|
| Name | Allyl 4-nitrophenylglyoxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.048072389 u |
| Formula | C11H9NO5 |
| InChI | InChI=1S/C11H9NO5/c1-2-7-17-11(14)10(13)8-3-5-9(6-4-8)12(15)16/h2-6H,1,7H2 |
| InChIKey | MASITMJMMLPRTG-UHFFFAOYSA-N |
| Molecular Weight | 235.195 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(C(C(=O)OCC=C)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934926 |