| SpectraBase Compound ID | 8u0ltgPjIvn |
|---|---|
| InChI | InChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-26(28)25-21-20-22-27-24-25/h7-8,20-22,24H,2-6,9-19,23H2,1H3/b8-7- |
| InChIKey | SRLXMAQBJVMJPT-FPLPWBNLSA-N |
| Mol Weight | 401.6 g/mol |
| Molecular Formula | C26H43NO2 |
| Exact Mass | 401.32938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LqJnuRq41rF |
|---|---|
| Name | Eicos-13-en-1-ol, nicotinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.329379627 u |
| Formula | C26H43NO2 |
| InChI | InChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-26(28)25-21-20-22-27-24-25/h7-8,20-22,24H,2-6,9-19,23H2,1H3/b8-7- |
| InChIKey | SRLXMAQBJVMJPT-FPLPWBNLSA-N |
| Molecular Weight | 401.635 g/mol |
| SMILES | C1=CC(C(=O)OCCCCCCCCCCCC\C=C/CCCCCC)=CN=C1 |