| SpectraBase Compound ID | 3JYWtk37lf7 |
|---|---|
| InChI | InChI=1S/C26H51NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-24-30-26(29)22-23-27-25(28)21-19-6-4-2/h3-24H2,1-2H3,(H,27,28) |
| InChIKey | JJJRVLCYDKJNHJ-UHFFFAOYSA-N |
| Mol Weight | 425.7 g/mol |
| Molecular Formula | C26H51NO3 |
| Exact Mass | 425.386895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G7ObU2jJyXG |
|---|---|
| Name | .beta.-Alanine, N-caproyl-, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 425.386894503 u |
| Formula | C26H51NO3 |
| InChI | InChI=1S/C26H51NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-24-30-26(29)22-23-27-25(28)21-19-6-4-2/h3-24H2,1-2H3,(H,27,28) |
| InChIKey | JJJRVLCYDKJNHJ-UHFFFAOYSA-N |
| Molecular Weight | 425.698 g/mol |
| SMILES | CCCCCC(NCCC(OCCCCCCCCCCCCCCCCC)=O)=O |