| SpectraBase Compound ID | 6TWo8DI9ZO8 |
|---|---|
| InChI | InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-9-10-11-15-21-18(20)17-13-12-14-19-16-17/h12-14,16H,2,5-11,15H2,1H3 |
| InChIKey | KCGGZBGJNHLAAM-UHFFFAOYSA-N |
| Mol Weight | 287.4 g/mol |
| Molecular Formula | C18H25NO2 |
| Exact Mass | 287.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4e5c5dmgH0B |
|---|---|
| Name | Nicotinic acid, dodec-9-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.188529047 u |
| Formula | C18H25NO2 |
| InChI | InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-9-10-11-15-21-18(20)17-13-12-14-19-16-17/h12-14,16H,2,5-11,15H2,1H3 |
| InChIKey | KCGGZBGJNHLAAM-UHFFFAOYSA-N |
| Molecular Weight | 287.403 g/mol |
| SMILES | C1=NC=C(C=C1)C(OCCCCCCCCC#CCC)=O |