| SpectraBase Compound ID | EvgA1jXUxns |
|---|---|
| InChI | InChI=1S/C11H13NO2/c13-11(9-5-7-12-8-6-9)14-10-3-1-2-4-10/h5-8,10H,1-4H2 |
| InChIKey | QPUNDERDSYMSEX-UHFFFAOYSA-N |
| Mol Weight | 191.23 g/mol |
| Molecular Formula | C11H13NO2 |
| Exact Mass | 191.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KjzgDWDqUSi |
|---|---|
| Name | Isonicotinic acid, cyclopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.094628661 u |
| Formula | C11H13NO2 |
| InChI | InChI=1S/C11H13NO2/c13-11(9-5-7-12-8-6-9)14-10-3-1-2-4-10/h5-8,10H,1-4H2 |
| InChIKey | QPUNDERDSYMSEX-UHFFFAOYSA-N |
| Molecular Weight | 191.230 g/mol |
| SMILES | C1CCC(C1)OC(C1=CC=NC=C1)=O |