| SpectraBase Compound ID | 88qFs9E2EVy |
|---|---|
| InChI | InChI=1S/C11H15NO2/c1-2-3-4-9-14-11(13)10-5-7-12-8-6-10/h5-8H,2-4,9H2,1H3 |
| InChIKey | MZHSESFNXADKBC-UHFFFAOYSA-N |
| Mol Weight | 193.25 g/mol |
| Molecular Formula | C11H15NO2 |
| Exact Mass | 193.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LvMv0FVD1E8 |
|---|---|
| Name | Isonicotinic acid, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.110278725 u |
| Formula | C11H15NO2 |
| InChI | InChI=1S/C11H15NO2/c1-2-3-4-9-14-11(13)10-5-7-12-8-6-10/h5-8H,2-4,9H2,1H3 |
| InChIKey | MZHSESFNXADKBC-UHFFFAOYSA-N |
| Molecular Weight | 193.246 g/mol |
| SMILES | CCCCCOC(C1=CC=NC=C1)=O |