| SpectraBase Compound ID | G4hKqcceZ4z |
|---|---|
| InChI | InChI=1S/C22H37NO/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/h11-12H,4-7,10,13-20H2,1-3H3/b12-11- |
| InChIKey | UOPCUFSJDVIUGG-QXMHVHEDSA-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 | 2tPcMIJdavu |
|---|---|
| Name | Octadeca-9-en-12-ynoic acid, dmox derivative |
| 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h11-12H,4-7,10,13-20H2,1-3H3/b12-11- |
| InChIKey | UOPCUFSJDVIUGG-QXMHVHEDSA-N |
| Molecular Weight | 331.544 g/mol |
| SMILES | C=1(CCCCCCC\C=C/CC#CCCCCC)OCC(N1)(C)C |