| SpectraBase Compound ID | 6E8VPTIdx8f |
|---|---|
| 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/h17-18H,4-16,19-20H2,1-3H3/b18-17- |
| InChIKey | HUPFODLGNKVKMB-ZCXUNETKSA-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 | 4HgZrsf9QVf |
|---|---|
| Name | 3-Octadecenoic acid, 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/h17-18H,4-16,19-20H2,1-3H3/b18-17- |
| InChIKey | HUPFODLGNKVKMB-ZCXUNETKSA-N |
| Molecular Weight | 335.576 g/mol |
| SMILES | C=1(C\C=C/CCCCCCCCCCCCCC)OCC(N1)(C)C |