| SpectraBase Compound ID | Eo63TnDSl2g |
|---|---|
| InChI | InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-9-10-11-16-21-18(20)17-12-14-19-15-13-17/h12-15H,2,5-11,16H2,1H3 |
| InChIKey | NPMYSCXGBSPJKR-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 | LrAEasSVq3y |
|---|---|
| Name | Isonicotinic 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/c1-2-3-4-5-6-7-8-9-10-11-16-21-18(20)17-12-14-19-15-13-17/h12-15H,2,5-11,16H2,1H3 |
| InChIKey | NPMYSCXGBSPJKR-UHFFFAOYSA-N |
| Molecular Weight | 287.403 g/mol |
| SMILES | CCC#CCCCCCCCCOC(C1=CC=NC=C1)=O |