| SpectraBase Compound ID | IMxOTPWrswa |
|---|---|
| InChI | InChI=1S/C11H15NO2/c1-2-3-4-8-14-11(13)10-6-5-7-12-9-10/h5-7,9H,2-4,8H2,1H3 |
| InChIKey | SYIRQWIOOCVBTC-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 | F5yyUu4NFqj |
|---|---|
| Name | Nicotinic 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/c1-2-3-4-8-14-11(13)10-6-5-7-12-9-10/h5-7,9H,2-4,8H2,1H3 |
| InChIKey | SYIRQWIOOCVBTC-UHFFFAOYSA-N |
| Molecular Weight | 193.246 g/mol |
| SMILES | C1=NC=C(C=C1)C(OCCCCC)=O |