| SpectraBase Compound ID | Gzw4w0g80GT |
|---|---|
| InChI | InChI=1S/C25H49NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29-24(27)23(3)26-25(28)30-21-5-2/h23H,4-22H2,1-3H3,(H,26,28) |
| InChIKey | KLYOEJSBPNXPID-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 | N19hNf38tG |
|---|---|
| Name | L-Alanine, N-propoxycarbonyl-, octadecyl 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/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29-24(27)23(3)26-25(28)30-21-5-2/h23H,4-22H2,1-3H3,(H,26,28) |
| InChIKey | KLYOEJSBPNXPID-UHFFFAOYSA-N |
| Molecular Weight | 427.670 g/mol |
| SMILES | CCCOC(=O)NC(C)C(OCCCCCCCCCCCCCCCCCC)=O |