| SpectraBase Compound ID | DbINN4gpPMl |
|---|---|
| InChI | InChI=1S/C25H49NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29-25(28)23(3)26-24(27)21-7-5-2/h23H,4-22H2,1-3H3,(H,26,27) |
| InChIKey | JWPPQRFKKZHBKE-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 | Jm25U7u2FA4 |
|---|---|
| Name | L-Alanine, N-valeryl-, heptadecyl 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/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29-25(28)23(3)26-24(27)21-7-5-2/h23H,4-22H2,1-3H3,(H,26,27) |
| InChIKey | JWPPQRFKKZHBKE-UHFFFAOYSA-N |
| Molecular Weight | 411.671 g/mol |
| SMILES | C(C(NC(=O)CCCC)C)(OCCCCCCCCCCCCCCCCC)=O |