| SpectraBase Compound ID | I7MemxnykF |
|---|---|
| InChI | InChI=1S/C26H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(28)26(29)27-23-20-21-24-27/h25,28H,2-24H2,1H3 |
| InChIKey | AATNJXVHOHDSQW-UHFFFAOYSA-N |
| Mol Weight | 409.7 g/mol |
| Molecular Formula | C26H51NO2 |
| Exact Mass | 409.39198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3EK8p2VL2xX |
|---|---|
| Name | 2-Hydroxy-docosanoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 409.391979884 u |
| Formula | C26H51NO2 |
| InChI | InChI=1S/C26H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(28)26(29)27-23-20-21-24-27/h25,28H,2-24H2,1H3 |
| InChIKey | AATNJXVHOHDSQW-UHFFFAOYSA-N |
| Molecular Weight | 409.699 g/mol |
| SMILES | C(N1CCCC1)(C(O)CCCCCCCCCCCCCCCCCCCC)=O |