| SpectraBase Compound ID | BEqVG0F73Ba |
|---|---|
| InChI | InChI=1S/C20H39NO4/c1-6-7-8-9-10-11-12-13-14-15-24-18(22)17(2)21-19(23)25-16-20(3,4)5/h17H,6-16H2,1-5H3,(H,21,23) |
| InChIKey | PBAGFOJDLAIJHH-UHFFFAOYSA-N |
| Mol Weight | 357.5 g/mol |
| Molecular Formula | C20H39NO4 |
| Exact Mass | 357.287909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39CxSKl9wQe |
|---|---|
| Name | D-Alanine, N-neopentyloxycarbonyl-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.287908736 u |
| Formula | C20H39NO4 |
| InChI | InChI=1S/C20H39NO4/c1-6-7-8-9-10-11-12-13-14-15-24-18(22)17(2)21-19(23)25-16-20(3,4)5/h17H,6-16H2,1-5H3,(H,21,23) |
| InChIKey | PBAGFOJDLAIJHH-UHFFFAOYSA-N |
| Molecular Weight | 357.535 g/mol |
| SMILES | CC(NC(OCC(C)(C)C)=O)C(OCCCCCCCCCCC)=O |