| SpectraBase Compound ID | JcQDPJr5WrM |
|---|---|
| InChI | InChI=1S/C28H55NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-28(2,3)26-30-27/h4-26H2,1-3H3 |
| InChIKey | IEASIIJVJSYJRF-UHFFFAOYSA-N |
| Mol Weight | 421.8 g/mol |
| Molecular Formula | C28H55NO |
| Exact Mass | 421.428365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2svc24NZ1uB |
|---|---|
| Name | Tetracosanoic acid, dmox derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 421.428365394 u |
| Formula | C28H55NO |
| InChI | InChI=1S/C28H55NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-28(2,3)26-30-27/h4-26H2,1-3H3 |
| InChIKey | IEASIIJVJSYJRF-UHFFFAOYSA-N |
| Molecular Weight | 421.754 g/mol |
| SMILES | C=1(CCCCCCCCCCCCCCCCCCCCCCC)OCC(N1)(C)C |