| SpectraBase Compound ID | CYOlaIrZTF8 |
|---|---|
| InChI | InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-22-19(21)18-14-13-15-20-17-18/h13-15,17H,2-12,16H2,1H3 |
| InChIKey | HAERFVYPQKXVPN-UHFFFAOYSA-N |
| Mol Weight | 305.46 g/mol |
| Molecular Formula | C19H31NO2 |
| Exact Mass | 305.235479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZpNwrKk8XC |
|---|---|
| Name | Nicotinic acid, tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.235479240 u |
| Formula | C19H31NO2 |
| InChI | InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-22-19(21)18-14-13-15-20-17-18/h13-15,17H,2-12,16H2,1H3 |
| InChIKey | HAERFVYPQKXVPN-UHFFFAOYSA-N |
| Molecular Weight | 305.462 g/mol |
| SMILES | C1=NC=C(C=C1)C(OCCCCCCCCCCCCC)=O |