| SpectraBase Compound ID | ijaTBZv5xV |
|---|---|
| InChI | InChI=1S/C11H21NO4/c1-8(2)6-5-7-16-10(13)9(3)12-11(14)15-4/h8-9H,5-7H2,1-4H3,(H,12,14) |
| InChIKey | NVJNASFFLPVLDE-UHFFFAOYSA-N |
| Mol Weight | 231.29 g/mol |
| Molecular Formula | C11H21NO4 |
| Exact Mass | 231.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CExlgZt2psE |
|---|---|
| Name | L-Alanine, N-methoxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.147058156 u |
| Formula | C11H21NO4 |
| InChI | InChI=1S/C11H21NO4/c1-8(2)6-5-7-16-10(13)9(3)12-11(14)15-4/h8-9H,5-7H2,1-4H3,(H,12,14) |
| InChIKey | NVJNASFFLPVLDE-UHFFFAOYSA-N |
| Molecular Weight | 231.292 g/mol |
| SMILES | COC(=O)NC(C)C(OCCCC(C)C)=O |