| SpectraBase Compound ID | Ha7nLqE31yB |
|---|---|
| InChI | InChI=1S/C24H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-23(26)19-20-25-24(27)29-21-4-2/h4H,2-3,5-22H2,1H3,(H,25,27) |
| InChIKey | AUHLJGCYYCNHOC-UHFFFAOYSA-N |
| Mol Weight | 411.6 g/mol |
| Molecular Formula | C24H45NO4 |
| Exact Mass | 411.334859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8QfyQrmMbvz |
|---|---|
| Name | .beta.-Alanine, N-allyloxycarbonyl-, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.334858929 u |
| Formula | C24H45NO4 |
| InChI | InChI=1S/C24H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-23(26)19-20-25-24(27)29-21-4-2/h4H,2-3,5-22H2,1H3,(H,25,27) |
| InChIKey | AUHLJGCYYCNHOC-UHFFFAOYSA-N |
| Molecular Weight | 411.627 g/mol |
| SMILES | C=CCOC(NCCC(OCCCCCCCCCCCCCCCCC)=O)=O |