| SpectraBase Compound ID | LgGt90WmHii |
|---|---|
| InChI | InChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h11-12H,2-10,13-19H2,1H3/b12-11- |
| InChIKey | KSCVWPRZKHWZJN-QXMHVHEDSA-N |
| Mol Weight | 307.5 g/mol |
| Molecular Formula | C20H37NO |
| Exact Mass | 307.287515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EK3fMUBJDt5 |
|---|---|
| Name | Hexadec-5-enoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.287514814 u |
| Formula | C20H37NO |
| InChI | InChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h11-12H,2-10,13-19H2,1H3/b12-11- |
| InChIKey | KSCVWPRZKHWZJN-QXMHVHEDSA-N |
| Molecular Weight | 307.522 g/mol |
| SMILES | C1N(CCC1)C(CCC\C=C/CCCCCCCCCC)=O |