| SpectraBase Compound ID | 3JPtddb9ysF |
|---|---|
| InChI | InChI=1S/C25H49NO/c1-3-4-5-11-14-19-24(2)20-15-12-9-7-6-8-10-13-16-21-25(27)26-22-17-18-23-26/h24H,3-23H2,1-2H3 |
| InChIKey | IHUSSENJNBHEEA-UHFFFAOYSA-N |
| Mol Weight | 379.7 g/mol |
| Molecular Formula | C25H49NO |
| Exact Mass | 379.381415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H6faSqYiEeF |
|---|---|
| Name | 13-Methyl-eicosanoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.381415201 u |
| Formula | C25H49NO |
| InChI | InChI=1S/C25H49NO/c1-3-4-5-11-14-19-24(2)20-15-12-9-7-6-8-10-13-16-21-25(27)26-22-17-18-23-26/h24H,3-23H2,1-2H3 |
| InChIKey | IHUSSENJNBHEEA-UHFFFAOYSA-N |
| Molecular Weight | 379.673 g/mol |
| SMILES | C1N(CCC1)C(CCCCCCCCCCCC(CCCCCCC)C)=O |