| SpectraBase Compound ID | CmgGmz0YuT2 |
|---|---|
| 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/h8-9,12-13H,2-7,10-11,14-20H2,1H3/b9-8-,13-12- |
| InChIKey | KUBGCOKVRLEMCB-OZKAYXIQSA-N |
| Mol Weight | 319.5 g/mol |
| Molecular Formula | C21H37NO |
| Exact Mass | 319.287515 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 | JN2y2Ax5aKy |
|---|---|
| Name | 5,9-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/h8-9,12-13H,2-7,10-11,14-20H2,1H3/b9-8-,13-12- |
| InChIKey | KUBGCOKVRLEMCB-OZKAYXIQSA-N |
| Molecular Weight | 319.533 g/mol |
| SMILES | C1N(CCC1)C(CCC\C=C/CC\C=C/CCCCCCC)=O |