| SpectraBase Compound ID | IsV8ELrmZNz |
|---|---|
| InChI | InChI=1S/C13H15NO/c15-13(12-6-2-1-3-7-12)8-11-14-9-4-5-10-14/h1-3,6-8,11H,4-5,9-10H2 |
| InChIKey | WYSYREZQTVOTLS-UHFFFAOYSA-N |
| Mol Weight | 201.27 g/mol |
| Molecular Formula | C13H15NO |
| Exact Mass | 201.115364 g/mol |
| SpectraBase Spectrum ID | 98dev3hFEC2 |
|---|---|
| Name | 3-Pyrrolidinylacrylophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.115364106 u |
| Formula | C13H15NO |
| InChI | InChI=1S/C13H15NO/c15-13(12-6-2-1-3-7-12)8-11-14-9-4-5-10-14/h1-3,6-8,11H,4-5,9-10H2 |
| InChIKey | WYSYREZQTVOTLS-UHFFFAOYSA-N |
| Molecular Weight | 201.269 g/mol |
| SMILES | C=1C=CC=CC1C(=O)C=CN1CCCC1 |
| Spectrum/Structure Validation Score (Raman) | 0.930571 |