| SpectraBase Compound ID | 3tXtAH2o0TP |
|---|---|
| InChI | InChI=1S/C25H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-25(2,3)23-27-24/h4-23H2,1-3H3 |
| InChIKey | YYDYUCFKJYBOLY-UHFFFAOYSA-N |
| Mol Weight | 379.7 g/mol |
| Molecular Formula | C25H49NO |
| Exact Mass | 379.381415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTKNkkl1KYm |
|---|---|
| Name | Heneicosanoic acid, dmox derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.381415201 u |
| Formula | C25H49NO |
| InChI | InChI=1S/C25H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-25(2,3)23-27-24/h4-23H2,1-3H3 |
| InChIKey | YYDYUCFKJYBOLY-UHFFFAOYSA-N |
| Molecular Weight | 379.673 g/mol |
| SMILES | C=1(CCCCCCCCCCCCCCCCCCCC)OCC(N1)(C)C |