| SpectraBase Compound ID | 65gnjFo6tWe |
|---|---|
| InChI | InChI=1S/C23H45NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-28-22(25)21(20(3)4)24(5)23(26)27-7-2/h20-21H,6-19H2,1-5H3 |
| InChIKey | AYKYMTJMSAGQST-UHFFFAOYSA-N |
| Mol Weight | 399.6 g/mol |
| Molecular Formula | C23H45NO4 |
| Exact Mass | 399.334859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4oZiweTVKHF |
|---|---|
| Name | Valine, N-methyl-N-ethoxycarbonyl-, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.334858929 u |
| Formula | C23H45NO4 |
| InChI | InChI=1S/C23H45NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-28-22(25)21(20(3)4)24(5)23(26)27-7-2/h20-21H,6-19H2,1-5H3 |
| InChIKey | AYKYMTJMSAGQST-UHFFFAOYSA-N |
| Molecular Weight | 399.616 g/mol |
| SMILES | CCOC(N(C(C(OCCCCCCCCCCCCCC)=O)C(C)C)C)=O |