| SpectraBase Compound ID | LMqetCSds1z |
|---|---|
| InChI | InChI=1S/C22H41NO/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/h9-10H,4-8,11-20H2,1-3H3/b10-9- |
| InChIKey | YVTATXSYTQAQAB-KTKRTIGZSA-N |
| Mol Weight | 335.6 g/mol |
| Molecular Formula | C22H41NO |
| Exact Mass | 335.318815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eu2JxcYjvFJ |
|---|---|
| Name | cis-Vaccenic acid, 4,4-dimethyloxazoline (dmox) derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.318814943 u |
| Formula | C22H41NO |
| InChI | InChI=1S/C22H41NO/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/h9-10H,4-8,11-20H2,1-3H3/b10-9- |
| InChIKey | YVTATXSYTQAQAB-KTKRTIGZSA-N |
| Molecular Weight | 335.576 g/mol |
| SMILES | C(\C=C/CCCCCCCCCC=1OCC(N1)(C)C)CCCCC |