| SpectraBase Compound ID | 1cjxh0nY41V |
|---|---|
| InChI | InChI=1S/C28H55NO3/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-21-23-25-32-28(31)26(3)29-27(30)24-22-20-9-7-5-2/h26H,4-25H2,1-3H3,(H,29,30) |
| InChIKey | YKCCXAYFHJEJKH-UHFFFAOYSA-N |
| Mol Weight | 453.8 g/mol |
| Molecular Formula | C28H55NO3 |
| Exact Mass | 453.418195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LFXdwgHOd5D |
|---|---|
| Name | L-Alanine, N-octanoyl-, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 453.418194632 u |
| Formula | C28H55NO3 |
| InChI | InChI=1S/C28H55NO3/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-21-23-25-32-28(31)26(3)29-27(30)24-22-20-9-7-5-2/h26H,4-25H2,1-3H3,(H,29,30) |
| InChIKey | YKCCXAYFHJEJKH-UHFFFAOYSA-N |
| Molecular Weight | 453.752 g/mol |
| SMILES | CCCCCCCC(NC(C)C(OCCCCCCCCCCCCCCCCC)=O)=O |