| SpectraBase Compound ID | GnAkQACvIZl |
|---|---|
| InChI | InChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-24(26)23-19-18-20-25-22-23/h9-10,18-20,22H,2-8,11-17,21H2,1H3/b10-9+ |
| InChIKey | WTLRGQPJLCWEOG-MDZDMXLPSA-N |
| Mol Weight | 373.6 g/mol |
| Molecular Formula | C24H39NO2 |
| Exact Mass | 373.298079 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5QaZrJXcMJK |
|---|---|
| Name | Octadec-9-en-1-ol, nicotinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 373.298079498 u |
| Formula | C24H39NO2 |
| InChI | InChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-24(26)23-19-18-20-25-22-23/h9-10,18-20,22H,2-8,11-17,21H2,1H3/b10-9+ |
| InChIKey | WTLRGQPJLCWEOG-MDZDMXLPSA-N |
| Molecular Weight | 373.581 g/mol |
| SMILES | C1=CN=CC(=C1)C(=O)OCCCCCCCC\C=C\CCCCCCCC |