| SpectraBase Compound ID | BjIBOndxZRm |
|---|---|
| InChI | InChI=1S/C25H49NO/c1-5-23(2)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-24-26-25(3,4)22-27-24/h23H,5-22H2,1-4H3 |
| InChIKey | COBDULXJENHDGU-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 | 9nAV8CF6SqE |
|---|---|
| Name | 18-Methyl-eicosanoic 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/c1-5-23(2)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-24-26-25(3,4)22-27-24/h23H,5-22H2,1-4H3 |
| InChIKey | COBDULXJENHDGU-UHFFFAOYSA-N |
| Molecular Weight | 379.673 g/mol |
| SMILES | C(CC)(CCCCCCCCCCCCCCCCC=1OCC(N1)(C)C)C |