| SpectraBase Compound ID | HSi6idSjWHM |
|---|---|
| InChI | InChI=1S/C26H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)27-24-21-22-25-27/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18- |
| InChIKey | JUMJHELVPBEFME-KUBAVDMBSA-N |
| Mol Weight | 381.6 g/mol |
| Molecular Formula | C26H39NO |
| Exact Mass | 381.303165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Inphib4fiB3 |
|---|---|
| Name | 4,7,10,13,16,19-Docosahexaenoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.303164879 u |
| Formula | C26H39NO |
| InChI | InChI=1S/C26H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)27-24-21-22-25-27/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18- |
| InChIKey | JUMJHELVPBEFME-KUBAVDMBSA-N |
| Molecular Weight | 381.604 g/mol |
| SMILES | C(N1CCCC1)(CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)=O |