| SpectraBase Compound ID | IvcG3jOSkx |
|---|---|
| InChI | InChI=1S/C15H29NO3/c1-4-6-8-9-10-12-19-15(18)13(3)16-14(17)11-7-5-2/h13H,4-12H2,1-3H3,(H,16,17) |
| InChIKey | YXOQILPTAHMTLD-UHFFFAOYSA-N |
| Mol Weight | 271.4 g/mol |
| Molecular Formula | C15H29NO3 |
| Exact Mass | 271.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zgVNhoyQe7 |
|---|---|
| Name | L-Alanine, N-valeryl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.214743795 u |
| Formula | C15H29NO3 |
| InChI | InChI=1S/C15H29NO3/c1-4-6-8-9-10-12-19-15(18)13(3)16-14(17)11-7-5-2/h13H,4-12H2,1-3H3,(H,16,17) |
| InChIKey | YXOQILPTAHMTLD-UHFFFAOYSA-N |
| Molecular Weight | 271.401 g/mol |
| SMILES | C(NC(C(OCCCCCCC)=O)C)(=O)CCCC |