| SpectraBase Compound ID | AxjjDN9BVSJ |
|---|---|
| InChI | InChI=1S/C11H21NO4/c1-6-15-11(14)12(5)9(4)10(13)16-7-8(2)3/h8-9H,6-7H2,1-5H3 |
| InChIKey | AQQDDEPRIMLUHE-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 | 4pJq6kfwFnJ |
|---|---|
| Name | Alanine, N-methyl-N-ethoxycarbonyl-, isobutyl 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/c1-6-15-11(14)12(5)9(4)10(13)16-7-8(2)3/h8-9H,6-7H2,1-5H3 |
| InChIKey | AQQDDEPRIMLUHE-UHFFFAOYSA-N |
| Molecular Weight | 231.292 g/mol |
| SMILES | CCOC(N(C(C(OCC(C)C)=O)C)C)=O |