| SpectraBase Compound ID | G1xJ7MSPmzl |
|---|---|
| InChI | InChI=1S/C27H53NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-27(2,3)25-29-26/h4-25H2,1-3H3 |
| InChIKey | YXAUWOJCXFHHJC-UHFFFAOYSA-N |
| Mol Weight | 407.7 g/mol |
| Molecular Formula | C27H53NO |
| Exact Mass | 407.412715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AO1VoOeHuw2 |
|---|---|
| Name | Tricosanoic acid, dmox derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 407.412715330 u |
| Formula | C27H53NO |
| InChI | InChI=1S/C27H53NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-27(2,3)25-29-26/h4-25H2,1-3H3 |
| InChIKey | YXAUWOJCXFHHJC-UHFFFAOYSA-N |
| Molecular Weight | 407.727 g/mol |
| SMILES | C=1(CCCCCCCCCCCCCCCCCCCCCC)OCC(N1)(C)C |