| SpectraBase Compound ID | BTLO1UPbt4Q |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)22-19-16-17-20-22/h3-4,6-7,9-10H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9- |
| InChIKey | QATGERJEIMKIBN-PDBXOOCHSA-N |
| Mol Weight | 317.5 g/mol |
| Molecular Formula | C21H35NO |
| Exact Mass | 317.271865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUK4QvxcdqZ |
|---|---|
| Name | 8,11,14-Heptadecatrienoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.271864750 u |
| Formula | C21H35NO |
| InChI | InChI=1S/C21H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)22-19-16-17-20-22/h3-4,6-7,9-10H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9- |
| InChIKey | QATGERJEIMKIBN-PDBXOOCHSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C1N(CCC1)C(CCCCCC\C=C/C\C=C/C\C=C/CC)=O |