| SpectraBase Compound ID | JYTPeunV9Q6 |
|---|---|
| InChI | InChI=1S/C26H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)27-24-21-22-25-27/h7-8H,2-6,11-25H2,1H3/b8-7+ |
| InChIKey | NIQKQGTUNHBEJT-BQYQJAHWSA-N |
| Mol Weight | 387.7 g/mol |
| Molecular Formula | C26H45NO |
| Exact Mass | 387.350115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2XTW0jSdvJI |
|---|---|
| Name | Docosa-13-yn-15-trans-enoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.350115072 u |
| Formula | C26H45NO |
| InChI | InChI=1S/C26H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)27-24-21-22-25-27/h7-8H,2-6,11-25H2,1H3/b8-7+ |
| InChIKey | NIQKQGTUNHBEJT-BQYQJAHWSA-N |
| Molecular Weight | 387.652 g/mol |
| SMILES | C(N1CCCC1)(CCCCCCCCCCCC#C\C=C\CCCCCC)=O |