| SpectraBase Compound ID | 8qFfjGSsLCm |
|---|---|
| InChI | InChI=1S/C22H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h10-13H,4-7,14-20H2,1-3H3/b11-10+,13-12+ |
| InChIKey | CNJBNIWDLSAIQK-AQASXUMVSA-N |
| Mol Weight | 329.5 g/mol |
| Molecular Formula | C22H35NO |
| Exact Mass | 329.271865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IsFvYIkYhh3 |
|---|---|
| Name | Octadeca-8,10-dien-12-ynoic acid, dmox derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.271864750 u |
| Formula | C22H35NO |
| InChI | InChI=1S/C22H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h10-13H,4-7,14-20H2,1-3H3/b11-10+,13-12+ |
| InChIKey | CNJBNIWDLSAIQK-AQASXUMVSA-N |
| Molecular Weight | 329.528 g/mol |
| SMILES | C(CC=1OCC(N1)(C)C)CCCC\C=C\C=C\C#CCCCCC |