| SpectraBase Compound ID | Fkln51L6WTE |
|---|---|
| InChI | InChI=1S/C25H49NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-24(27)23(22(3)4)26(5)25(28)29-7-2/h22-23H,6-21H2,1-5H3 |
| InChIKey | AGRIHVOTZNDVPE-UHFFFAOYSA-N |
| Mol Weight | 427.7 g/mol |
| Molecular Formula | C25H49NO4 |
| Exact Mass | 427.366159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JGgaBQykW29 |
|---|---|
| Name | Valine, N-methyl- N-ethoxycarbonyl-, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 427.366159058 u |
| Formula | C25H49NO4 |
| InChI | InChI=1S/C25H49NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-24(27)23(22(3)4)26(5)25(28)29-7-2/h22-23H,6-21H2,1-5H3 |
| InChIKey | AGRIHVOTZNDVPE-UHFFFAOYSA-N |
| Molecular Weight | 427.670 g/mol |
| SMILES | CCOC(N(C(C(OCCCCCCCCCCCCCCCC)=O)C(C)C)C)=O |