| SpectraBase Compound ID | DXEQqy9kQAd |
|---|---|
| InChI | InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-21(23)20-16-15-17-22-19-20/h15-17,19H,2-14,18H2,1H3 |
| InChIKey | DDAXSEWWNPAMQN-UHFFFAOYSA-N |
| Mol Weight | 333.5 g/mol |
| Molecular Formula | C21H35NO2 |
| Exact Mass | 333.266779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8mLfhjPeoyQ |
|---|---|
| Name | Pentadecan-1-ol, nicotinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.266779369 u |
| Formula | C21H35NO2 |
| InChI | InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-21(23)20-16-15-17-22-19-20/h15-17,19H,2-14,18H2,1H3 |
| InChIKey | DDAXSEWWNPAMQN-UHFFFAOYSA-N |
| Molecular Weight | 333.516 g/mol |
| SMILES | C1=CC(C(=O)OCCCCCCCCCCCCCCC)=CN=C1 |