| SpectraBase Compound ID | BrmADrBkenQ |
|---|---|
| InChI | InChI=1S/C18H23NO2/c20-17(16-2-1-4-19-12-16)21-5-3-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-2,4,12-15H,3,5-11H2/t13-,14+,15-,18+ |
| InChIKey | AVSOLGBUADYZAD-VKNSLKGXSA-N |
| Mol Weight | 285.39 g/mol |
| Molecular Formula | C18H23NO2 |
| Exact Mass | 285.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FNwZdlvNk3v |
|---|---|
| Name | Nicotinic acid, 2-(1-adamantyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.172878983 u |
| Formula | C18H23NO2 |
| InChI | InChI=1S/C18H23NO2/c20-17(16-2-1-4-19-12-16)21-5-3-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-2,4,12-15H,3,5-11H2/t13-,14+,15-,18+ |
| InChIKey | AVSOLGBUADYZAD-VKNSLKGXSA-N |
| SMILES | C1[C@]2(CC3(C[C@@]1(C[C@@](C2)(C3)[H])[H])CCOC(C1=CN=CC=C1)=O)[H] |