| SpectraBase Compound ID | D1urzlcr8dO |
|---|---|
| InChI | InChI=1S/C25H49NO4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29-24(27)23(3)26-25(28)30-21-7-5-2/h23H,4-22H2,1-3H3,(H,26,28) |
| InChIKey | BXQDKVWRHUJVPZ-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 | J2uNZdHVJFu |
|---|---|
| Name | L-Alanine, N-butoxycarbonyl-, heptadecyl 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/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29-24(27)23(3)26-25(28)30-21-7-5-2/h23H,4-22H2,1-3H3,(H,26,28) |
| InChIKey | BXQDKVWRHUJVPZ-UHFFFAOYSA-N |
| Molecular Weight | 427.670 g/mol |
| SMILES | CCCCOC(=O)NC(C)C(OCCCCCCCCCCCCCCCCC)=O |