| SpectraBase Compound ID | I5Ef2gsigk0 |
|---|---|
| InChI | InChI=1S/C26H51NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30-25(28)24(3)27(4)26(29)31-22-8-6-2/h24H,5-23H2,1-4H3 |
| InChIKey | YCMCPTLCRYEXKF-UHFFFAOYSA-N |
| Mol Weight | 441.7 g/mol |
| Molecular Formula | C26H51NO4 |
| Exact Mass | 441.381809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97rjklL5fRc |
|---|---|
| Name | Alanine, N-methyl-N-butoxycarbonyl-, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 441.381809122 u |
| Formula | C26H51NO4 |
| InChI | InChI=1S/C26H51NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30-25(28)24(3)27(4)26(29)31-22-8-6-2/h24H,5-23H2,1-4H3 |
| InChIKey | YCMCPTLCRYEXKF-UHFFFAOYSA-N |
| Molecular Weight | 441.697 g/mol |
| SMILES | CCCCOC(N(C(C(OCCCCCCCCCCCCCCCCC)=O)C)C)=O |