| SpectraBase Compound ID | 4KrAQc4gpuk |
|---|---|
| InChI | InChI=1S/C11H21NO4/c1-5-8(2)7-12-9(11(14)16-4)6-10(13)15-3/h8-9,12H,5-7H2,1-4H3 |
| InChIKey | VBDKUJVTYDOVKO-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 | 4vWro1XEi6h |
|---|---|
| Name | L-Aspartic acid, N-(2-methylbutyl)-, dimethyl 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/c1-5-8(2)7-12-9(11(14)16-4)6-10(13)15-3/h8-9,12H,5-7H2,1-4H3 |
| InChIKey | VBDKUJVTYDOVKO-UHFFFAOYSA-N |
| Molecular Weight | 231.292 g/mol |
| SMILES | COC(=O)CC(NCC(CC)C)C(=O)OC |