| SpectraBase Compound ID | 4HLGZElzRfu |
|---|---|
| InChI | InChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-9-10-14-20-17(19)16-12-11-13-18-15-16/h11-13,15H,2-10,14H2,1H3 |
| InChIKey | OWEZDQWMGDOLFG-UHFFFAOYSA-N |
| Mol Weight | 277.41 g/mol |
| Molecular Formula | C17H27NO2 |
| Exact Mass | 277.204179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6AKXp2vK4YU |
|---|---|
| Name | Nicotinic acid, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.204179111 u |
| Formula | C17H27NO2 |
| InChI | InChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-9-10-14-20-17(19)16-12-11-13-18-15-16/h11-13,15H,2-10,14H2,1H3 |
| InChIKey | OWEZDQWMGDOLFG-UHFFFAOYSA-N |
| Molecular Weight | 277.408 g/mol |
| SMILES | C1=NC=C(C=C1)C(OCCCCCCCCCCC)=O |