| SpectraBase Compound ID | LQkY1oGR3rA |
|---|---|
| InChI | InChI=1S/C11H11NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey | IONNJVQITCVNHK-UHFFFAOYSA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C11H11NO2 |
| Exact Mass | 189.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FULgKwCkAC3 |
|---|---|
| Name | 2,5-Pyrrolidinedione, 1-(phenylmethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.078978596 u |
| Formula | C11H11NO2 |
| InChI | InChI=1S/C11H11NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey | IONNJVQITCVNHK-UHFFFAOYSA-N |
| Molecular Weight | 189.214 g/mol |
| SMILES | C1C(N(CC2=CC=CC=C2)C(C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938107 |