| SpectraBase Compound ID | 3duWNLE5PSQ |
|---|---|
| InChI | InChI=1S/C13H17NO2/c1-11-7-9-14(10-8-11)13(15)16-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3 |
| InChIKey | WURIROSRKBPVMF-UHFFFAOYSA-N |
| Mol Weight | 219.28 g/mol |
| Molecular Formula | C13H17NO2 |
| Exact Mass | 219.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4B0bfgcvFRy |
|---|---|
| Name | 4-Methylpiperidine-1-carboxylic acid, phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.125928789 u |
| Formula | C13H17NO2 |
| InChI | InChI=1S/C13H17NO2/c1-11-7-9-14(10-8-11)13(15)16-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3 |
| InChIKey | WURIROSRKBPVMF-UHFFFAOYSA-N |
| Molecular Weight | 219.284 g/mol |
| SMILES | C1=CC(OC(=O)N2CCC(C)CC2)=CC=C1 |