| SpectraBase Compound ID | J6J7WdmUwV1 |
|---|---|
| InChI | InChI=1S/C14H16N2O2/c15-10-13-8-4-5-9-16(13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-9,11H2 |
| InChIKey | NENRYYPPHIHDHC-UHFFFAOYSA-N |
| Mol Weight | 244.29 g/mol |
| Molecular Formula | C14H16N2O2 |
| Exact Mass | 244.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6VT9sBAaHxG |
|---|---|
| Name | 2-Cyano-piperidine-1-carboxylic acid benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.121177761 u |
| Formula | C14H16N2O2 |
| InChI | InChI=1S/C14H16N2O2/c15-10-13-8-4-5-9-16(13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-9,11H2 |
| InChIKey | NENRYYPPHIHDHC-UHFFFAOYSA-N |
| Molecular Weight | 244.294 g/mol |
| SMILES | C1(N(CCCC1)C(=O)OCC=1C=CC=CC1)C#N |