| SpectraBase Compound ID | JFShJ4prqfA |
|---|---|
| InChI | InChI=1S/C13H17NO2/c1-16-13(15)11-5-7-12(8-6-11)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3 |
| InChIKey | DGHBETAWIXVCFO-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 | GH4Oy6Ctkaj |
|---|---|
| Name | 4-(1-Piperidinyl)benzoic acid methyl 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/c1-16-13(15)11-5-7-12(8-6-11)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3 |
| InChIKey | DGHBETAWIXVCFO-UHFFFAOYSA-N |
| Molecular Weight | 219.284 g/mol |
| SMILES | C1N(CCCC1)C=1C=CC(=CC1)C(=O)OC |