| SpectraBase Compound ID | 43TOHADpiXT |
|---|---|
| InChI | InChI=1S/C22H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)23-20-17-18-21-23/h7-8H,2-6,11-21H2,1H3/b8-7+ |
| InChIKey | STYLINZJPVXEPG-BQYQJAHWSA-N |
| Mol Weight | 331.5 g/mol |
| Molecular Formula | C22H37NO |
| Exact Mass | 331.287515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nR83XBcqIi |
|---|---|
| Name | Octadeca-9-yn-11-trans-enoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.287514814 u |
| Formula | C22H37NO |
| InChI | InChI=1S/C22H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)23-20-17-18-21-23/h7-8H,2-6,11-21H2,1H3/b8-7+ |
| InChIKey | STYLINZJPVXEPG-BQYQJAHWSA-N |
| Molecular Weight | 331.544 g/mol |
| SMILES | C(N1CCCC1)(CCCCCCCC#C\C=C\CCCCCC)=O |