| SpectraBase Compound ID | 1jSxtCyNfch |
|---|---|
| InChI | InChI=1S/C13H25NO3/c1-4-6-7-8-9-10-12(15)14-11(3)13(16)17-5-2/h11H,4-10H2,1-3H3,(H,14,15) |
| InChIKey | GLVKCOJDVUFJOR-UHFFFAOYSA-N |
| Mol Weight | 243.35 g/mol |
| Molecular Formula | C13H25NO3 |
| Exact Mass | 243.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F583OhTONyj |
|---|---|
| Name | L-Alanine, N-octanoyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.183443666 u |
| Formula | C13H25NO3 |
| InChI | InChI=1S/C13H25NO3/c1-4-6-7-8-9-10-12(15)14-11(3)13(16)17-5-2/h11H,4-10H2,1-3H3,(H,14,15) |
| InChIKey | GLVKCOJDVUFJOR-UHFFFAOYSA-N |
| Molecular Weight | 243.347 g/mol |
| SMILES | C(C)CCCCCC(NC(C)C(OCC)=O)=O |