| SpectraBase Compound ID | 4bvkzS2bixE |
|---|---|
| InChI | InChI=1S/C22H39NO/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/h6-7,10-11H,2-5,8-9,12-21H2,1H3/b7-6-,11-10- |
| InChIKey | RFLZBYLROMFPSB-QOXWLJPHSA-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 | Kxcla7J3VZt |
|---|---|
| Name | 8,12-Octadecadienoic 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)23-20-17-18-21-23/h6-7,10-11H,2-5,8-9,12-21H2,1H3/b7-6-,11-10- |
| InChIKey | RFLZBYLROMFPSB-QOXWLJPHSA-N |
| Molecular Weight | 333.560 g/mol |
| SMILES | C(N1CCCC1)(CCCCCC\C=C/CC\C=C/CCCCC)=O |