| SpectraBase Compound ID | FuuBrnnV3RT |
|---|---|
| InChI | InChI=1S/C17H25NO2/c1-2-3-4-5-6-7-8-9-10-14-20-17(19)16-12-11-13-18-15-16/h2,11-13,15H,1,3-10,14H2 |
| InChIKey | QIINFIBHTYRFLH-UHFFFAOYSA-N |
| Mol Weight | 275.39 g/mol |
| Molecular Formula | C17H25NO2 |
| Exact Mass | 275.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2c6PFozJaZJ |
|---|---|
| Name | Nicotinic acid, undec-10-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.188529047 u |
| Formula | C17H25NO2 |
| InChI | InChI=1S/C17H25NO2/c1-2-3-4-5-6-7-8-9-10-14-20-17(19)16-12-11-13-18-15-16/h2,11-13,15H,1,3-10,14H2 |
| InChIKey | QIINFIBHTYRFLH-UHFFFAOYSA-N |
| Molecular Weight | 275.392 g/mol |
| SMILES | C1=NC=C(C=C1)C(OCCCCCCCCCC=C)=O |