| SpectraBase Compound ID | JZAqkMvVKBy |
|---|---|
| InChI | InChI=1S/C25H49NO3/c1-3-5-7-9-10-11-12-13-14-15-17-19-23-29-25(28)21-22-26-24(27)20-18-16-8-6-4-2/h3-23H2,1-2H3,(H,26,27) |
| InChIKey | MIOJYJLNVXRQAJ-UHFFFAOYSA-N |
| Mol Weight | 411.7 g/mol |
| Molecular Formula | C25H49NO3 |
| Exact Mass | 411.371244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KixXMgDwXZP |
|---|---|
| Name | .beta.-Alanine, N-capryloyl-, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.371244439 u |
| Formula | C25H49NO3 |
| InChI | InChI=1S/C25H49NO3/c1-3-5-7-9-10-11-12-13-14-15-17-19-23-29-25(28)21-22-26-24(27)20-18-16-8-6-4-2/h3-23H2,1-2H3,(H,26,27) |
| InChIKey | MIOJYJLNVXRQAJ-UHFFFAOYSA-N |
| Molecular Weight | 411.671 g/mol |
| SMILES | CCCCCCCC(NCCC(OCCCCCCCCCCCCCC)=O)=O |