| SpectraBase Compound ID | 2w4ufAEt9HE |
|---|---|
| InChI | InChI=1S/C26H51NO3/c1-4-6-8-10-11-12-13-14-15-16-17-19-21-23-30-26(29)24(3)27-25(28)22-20-18-9-7-5-2/h24H,4-23H2,1-3H3,(H,27,28) |
| InChIKey | MVUJDNCVKNTTGN-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 | JCAeTbnPsRN |
|---|---|
| Name | L-Alanine, N-octanoyl-, pentadecyl 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/c1-4-6-8-10-11-12-13-14-15-16-17-19-21-23-30-26(29)24(3)27-25(28)22-20-18-9-7-5-2/h24H,4-23H2,1-3H3,(H,27,28) |
| InChIKey | MVUJDNCVKNTTGN-UHFFFAOYSA-N |
| Molecular Weight | 425.698 g/mol |
| SMILES | CCCCCCCC(NC(C(OCCCCCCCCCCCCCCC)=O)C)=O |