| SpectraBase Compound ID | 216nmlLVQrx |
|---|---|
| InChI | InChI=1S/C22H39NO/c1-2-3-4-5-6-9-14-20-19-21(20)15-10-7-8-11-16-22(24)23-17-12-13-18-23/h2-19H2,1H3 |
| InChIKey | VIIDKKUEBAKNSN-UHFFFAOYSA-N |
| Mol Weight | 333.6 g/mol |
| Molecular Formula | C22H39NO |
| Exact Mass | 333.303165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ba5FPHb7VJk |
|---|---|
| Name | 8,9-Methylene-heptadec-8-enoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.303164879 u |
| Formula | C22H39NO |
| InChI | InChI=1S/C22H39NO/c1-2-3-4-5-6-9-14-20-19-21(20)15-10-7-8-11-16-22(24)23-17-12-13-18-23/h2-19H2,1H3 |
| InChIKey | VIIDKKUEBAKNSN-UHFFFAOYSA-N |
| Molecular Weight | 333.560 g/mol |
| SMILES | C(N1CCCC1)(CCCCCCC1=C(CCCCCCCC)C1)=O |