| SpectraBase Compound ID | Hs93hoQrtWZ |
|---|---|
| InChI | InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-23(25)22-18-17-19-24-21-22/h8-9,17-19,21H,2-7,10-16,20H2,1H3/b9-8+ |
| InChIKey | RRRMKMYFMBKOSK-CMDGGOBGSA-N |
| Mol Weight | 359.6 g/mol |
| Molecular Formula | C23H37NO2 |
| Exact Mass | 359.282429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7DEH5uaK9eI |
|---|---|
| Name | Heptadec-9-en-1-ol, nicotinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.282429433 u |
| Formula | C23H37NO2 |
| InChI | InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-23(25)22-18-17-19-24-21-22/h8-9,17-19,21H,2-7,10-16,20H2,1H3/b9-8+ |
| InChIKey | RRRMKMYFMBKOSK-CMDGGOBGSA-N |
| Molecular Weight | 359.554 g/mol |
| SMILES | C1=CN=CC(=C1)C(=O)OCCCCCCCC\C=C\CCCCCCC |