| SpectraBase Compound ID | Gei6q9chiRK |
|---|---|
| InChI | InChI=1S/C13H23NO4/c1-5-7-8-10-17-12(15)11(3)14(4)13(16)18-9-6-2/h6,11H,2,5,7-10H2,1,3-4H3 |
| InChIKey | XFKXAUYUINCSSC-UHFFFAOYSA-N |
| Mol Weight | 257.33 g/mol |
| Molecular Formula | C13H23NO4 |
| Exact Mass | 257.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HBFisEpETbX |
|---|---|
| Name | Alanine, N-methyl-N-allyloxycarbonyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.162708221 u |
| Formula | C13H23NO4 |
| InChI | InChI=1S/C13H23NO4/c1-5-7-8-10-17-12(15)11(3)14(4)13(16)18-9-6-2/h6,11H,2,5,7-10H2,1,3-4H3 |
| InChIKey | XFKXAUYUINCSSC-UHFFFAOYSA-N |
| Molecular Weight | 257.330 g/mol |
| SMILES | C=CCOC(N(C(C(OCCCCC)=O)C)C)=O |