| SpectraBase Compound ID | D8AjjpxyEHs |
|---|---|
| InChI | InChI=1S/C21H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)22-19-16-17-20-22/h8-9H,2-7,10-20H2,1H3/b9-8- |
| InChIKey | UPRCECPLHBGCGA-HJWRWDBZSA-N |
| Mol Weight | 321.5 g/mol |
| Molecular Formula | C21H39NO |
| Exact Mass | 321.303165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6tXWl0UmdVR |
|---|---|
| Name | 9-Heptadecenoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.303164879 u |
| Formula | C21H39NO |
| InChI | InChI=1S/C21H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)22-19-16-17-20-22/h8-9H,2-7,10-20H2,1H3/b9-8- |
| InChIKey | UPRCECPLHBGCGA-HJWRWDBZSA-N |
| Molecular Weight | 321.549 g/mol |
| SMILES | C1N(CCC1)C(CCCCCCC\C=C/CCCCCCC)=O |