| SpectraBase Compound ID | 8ycaOGYtwJX |
|---|---|
| InChI | InChI=1S/C13H17NO2/c1-10(11-4-2-3-5-11)16-13(15)12-6-8-14-9-7-12/h6-11H,2-5H2,1H3 |
| InChIKey | MHNKRHAAQLYXQE-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 | iuP9Jngl4A |
|---|---|
| Name | Isonicotinic acid, 1-cyclopentylethyl 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/c1-10(11-4-2-3-5-11)16-13(15)12-6-8-14-9-7-12/h6-11H,2-5H2,1H3 |
| InChIKey | MHNKRHAAQLYXQE-UHFFFAOYSA-N |
| Molecular Weight | 219.284 g/mol |
| SMILES | C1(=CC=NC=C1)C(=O)OC(C1CCCC1)C |