| SpectraBase Compound ID | 21iG5LZWEHZ |
|---|---|
| InChI | InChI=1S/C13H15NO2/c1-10(14-9-5-8-12(14)15)13(16)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3 |
| InChIKey | LZFDBIIMVDBINR-UHFFFAOYSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C13H15NO2 |
| Exact Mass | 217.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gnt8r72gw8d |
|---|---|
| Name | Pyrrolidinopropiophenone-m (oxo-) @P454 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.110278725 u |
| Formula | C13H15NO2 |
| InChI | InChI=1S/C13H15NO2/c1-10(14-9-5-8-12(14)15)13(16)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3 |
| InChIKey | LZFDBIIMVDBINR-UHFFFAOYSA-N |
| Molecular Weight | 217.268 g/mol |
| SMILES | C=1C=C(C(C(C)N2CCCC2=O)=O)C=CC1 |