| SpectraBase Compound ID | EtIZcGVfdWT |
|---|---|
| InChI | InChI=1S/C12H15NO/c1-10-5-4-6-11(9-10)12(14)13-7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3 |
| InChIKey | LTUWAHJBVDUCBO-UHFFFAOYSA-N |
| Mol Weight | 189.26 g/mol |
| Molecular Formula | C12H15NO |
| Exact Mass | 189.115364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KOqdoXGB5I5 |
|---|---|
| Name | 3-Methylbenzoylpyrrolidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.115364106 u |
| Formula | C12H15NO |
| InChI | InChI=1S/C12H15NO/c1-10-5-4-6-11(9-10)12(14)13-7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3 |
| InChIKey | LTUWAHJBVDUCBO-UHFFFAOYSA-N |
| Molecular Weight | 189.258 g/mol |
| SMILES | C(C1=CC(=CC=C1)C)(N1CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947604 |