| SpectraBase Compound ID | 3PLAgf5BQy9 |
|---|---|
| InChI | InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h7-8,11-12H,2-6,9-10,13-19H2,1H3/b8-7-,12-11- |
| InChIKey | LXLHAZBIUMHQDA-MQEUWQHPSA-N |
| Mol Weight | 305.5 g/mol |
| Molecular Formula | C20H35NO |
| Exact Mass | 305.271865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E93YntZVF76 |
|---|---|
| Name | 5,9-Hexadecadienoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.271864750 u |
| Formula | C20H35NO |
| InChI | InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h7-8,11-12H,2-6,9-10,13-19H2,1H3/b8-7-,12-11- |
| InChIKey | LXLHAZBIUMHQDA-MQEUWQHPSA-N |
| Molecular Weight | 305.506 g/mol |
| SMILES | C1N(CCC1)C(CCC\C=C/CC\C=C/CCCCCC)=O |