| SpectraBase Compound ID | JUyiCxCwFrk |
|---|---|
| InChI | InChI=1S/C13H25NO4/c1-4-6-7-8-9-10-18-12(15)11(3)14-13(16)17-5-2/h11H,4-10H2,1-3H3,(H,14,16) |
| InChIKey | MLBJUTHIZUXARJ-UHFFFAOYSA-N |
| Mol Weight | 259.35 g/mol |
| Molecular Formula | C13H25NO4 |
| Exact Mass | 259.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ALPLti2XDUk |
|---|---|
| Name | L-Alanine, N-ethoxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.178358285 u |
| Formula | C13H25NO4 |
| InChI | InChI=1S/C13H25NO4/c1-4-6-7-8-9-10-18-12(15)11(3)14-13(16)17-5-2/h11H,4-10H2,1-3H3,(H,14,16) |
| InChIKey | MLBJUTHIZUXARJ-UHFFFAOYSA-N |
| Molecular Weight | 259.346 g/mol |
| SMILES | CCOC(NC(C(OCCCCCCC)=O)C)=O |