| SpectraBase Compound ID | BQbhHM1UE5t |
|---|---|
| InChI | InChI=1S/C28H53NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(30)29-26-23-24-27-29/h7-8H,2-6,9-27H2,1H3/b8-7- |
| InChIKey | DBVWKNBONMDFPN-FPLPWBNLSA-N |
| Mol Weight | 419.7 g/mol |
| Molecular Formula | C28H53NO |
| Exact Mass | 419.412715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 38Y1ZAeZqnW |
|---|---|
| Name | 17-Tetracosenoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 419.412715330 u |
| Formula | C28H53NO |
| InChI | InChI=1S/C28H53NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(30)29-26-23-24-27-29/h7-8H,2-6,9-27H2,1H3/b8-7- |
| InChIKey | DBVWKNBONMDFPN-FPLPWBNLSA-N |
| Molecular Weight | 419.738 g/mol |
| SMILES | C(N1CCCC1)(CCCCCCCCCCCCCCC\C=C/CCCCCC)=O |