| SpectraBase Compound ID | bJ946JcxQ |
|---|---|
| InChI | InChI=1S/C12H13NO2/c14-9-10-6-7-13(8-10)12(15)11-4-2-1-3-5-11/h1-5,9-10H,6-8H2 |
| InChIKey | PCKGLAHFGMZTJK-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5KrcjBuJvSR |
|---|---|
| Name | 1-(Phenylcarbonyl)pyrrolidine-3-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.094628661 u |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c14-9-10-6-7-13(8-10)12(15)11-4-2-1-3-5-11/h1-5,9-10H,6-8H2 |
| InChIKey | PCKGLAHFGMZTJK-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | C(N1CC(C=O)CC1)(=O)C1=CC=CC=C1 |