| SpectraBase Compound ID | I64jbSACIRo |
|---|---|
| InChI | InChI=1S/C26H49NO/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/h15-16H,2-14,17-25H2,1H3/b16-15- |
| InChIKey | UWSUTWLJACNRIB-NXVVXOECSA-N |
| Mol Weight | 391.7 g/mol |
| Molecular Formula | C26H49NO |
| Exact Mass | 391.381415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HGgU8whFGR8 |
|---|---|
| Name | 7-Docosenoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 391.381415201 u |
| Formula | C26H49NO |
| InChI | InChI=1S/C26H49NO/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/h15-16H,2-14,17-25H2,1H3/b16-15- |
| InChIKey | UWSUTWLJACNRIB-NXVVXOECSA-N |
| Molecular Weight | 391.684 g/mol |
| SMILES | C(N1CCCC1)(CCCCC\C=C/CCCCCCCCCCCCCC)=O |