| SpectraBase Compound ID | 5PtrET4yJ6v |
|---|---|
| InChI | InChI=1S/C24H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-22-28-24(27)20-21-25-23(26)19-17-6-4-2/h3-22H2,1-2H3,(H,25,26) |
| InChIKey | SKUCVAYUGSXBBO-UHFFFAOYSA-N |
| Mol Weight | 397.6 g/mol |
| Molecular Formula | C24H47NO3 |
| Exact Mass | 397.355594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BNOqBg1bA3k |
|---|---|
| Name | .beta.-Alanine, N-caproyl-, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.355594374 u |
| Formula | C24H47NO3 |
| InChI | InChI=1S/C24H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-22-28-24(27)20-21-25-23(26)19-17-6-4-2/h3-22H2,1-2H3,(H,25,26) |
| InChIKey | SKUCVAYUGSXBBO-UHFFFAOYSA-N |
| Molecular Weight | 397.644 g/mol |
| SMILES | CCCCCC(NCCC(OCCCCCCCCCCCCCCC)=O)=O |