| SpectraBase Compound ID | 4qVJ2qNtOuk |
|---|---|
| InChI | InChI=1S/C17H33NO3/c1-5-6-7-8-9-12-16(19)18-15(4)17(20)21-13-10-11-14(2)3/h14-15H,5-13H2,1-4H3,(H,18,19) |
| InChIKey | SIBJPPVWNGXRIB-UHFFFAOYSA-N |
| Mol Weight | 299.5 g/mol |
| Molecular Formula | C17H33NO3 |
| Exact Mass | 299.246044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CiwnyKsKVvV |
|---|---|
| Name | L-Alanine, N-octanoyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.246043924 u |
| Formula | C17H33NO3 |
| InChI | InChI=1S/C17H33NO3/c1-5-6-7-8-9-12-16(19)18-15(4)17(20)21-13-10-11-14(2)3/h14-15H,5-13H2,1-4H3,(H,18,19) |
| InChIKey | SIBJPPVWNGXRIB-UHFFFAOYSA-N |
| Molecular Weight | 299.455 g/mol |
| SMILES | CCCCCCCC(NC(C(OCCCC(C)C)=O)C)=O |