| SpectraBase Compound ID | 2CSsT4gTJao |
|---|---|
| InChI | InChI=1S/C21H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)22-19-16-17-20-22/h5-6,8-9H,2-4,7,10-20H2,1H3/b6-5-,9-8- |
| InChIKey | PLXBEZFQMOLRQF-AFJQJTPPSA-N |
| Mol Weight | 319.5 g/mol |
| Molecular Formula | C21H37NO |
| Exact Mass | 319.287515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2S5q8BzFWg9 |
|---|---|
| Name | 9,12-Heptadecadienoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.287514814 u |
| Formula | C21H37NO |
| InChI | InChI=1S/C21H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)22-19-16-17-20-22/h5-6,8-9H,2-4,7,10-20H2,1H3/b6-5-,9-8- |
| InChIKey | PLXBEZFQMOLRQF-AFJQJTPPSA-N |
| Molecular Weight | 319.533 g/mol |
| SMILES | C1N(CCC1)C(CCCCCCC\C=C/C\C=C/CCCC)=O |