| SpectraBase Compound ID | AEupbqk5rlX |
|---|---|
| InChI | InChI=1S/C11H11NO/c1-9-11(13)7-8-12(9)10-5-3-2-4-6-10/h2-9H,1H3 |
| InChIKey | TUKBIBWPXBFMLI-UHFFFAOYSA-N |
| Mol Weight | 173.21 g/mol |
| Molecular Formula | C11H11NO |
| Exact Mass | 173.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6kt4SjNQWBj |
|---|---|
| Name | 3H-Pyrrol-3-one, 1,2-dihydro-2-methyl-1-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.084063977 u |
| Formula | C11H11NO |
| InChI | InChI=1S/C11H11NO/c1-9-11(13)7-8-12(9)10-5-3-2-4-6-10/h2-9H,1H3 |
| InChIKey | TUKBIBWPXBFMLI-UHFFFAOYSA-N |
| Molecular Weight | 173.215 g/mol |
| SMILES | C=1N(C(C(C1)=O)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951584 |