| SpectraBase Compound ID | xiFL8ZrB2A |
|---|---|
| InChI | InChI=1S/C11H20N2O4/c1-6(2)5-9(11(16)17)13-10(15)7(3)12-8(4)14/h6-7,9H,5H2,1-4H3,(H,12,14)(H,13,15)(H,16,17) |
| InChIKey | HIEIIANYSKARKE-UHFFFAOYSA-N |
| Mol Weight | 244.29 g/mol |
| Molecular Formula | C11H20N2O4 |
| Exact Mass | 244.142307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KlE4kLbnMAJ |
|---|---|
| Name | 2-(2-Acetamidopropanoylamino)-4-methyl-pentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.142307128 u |
| Formula | C11H20N2O4 |
| InChI | InChI=1S/C11H20N2O4/c1-6(2)5-9(11(16)17)13-10(15)7(3)12-8(4)14/h6-7,9H,5H2,1-4H3,(H,12,14)(H,13,15)(H,16,17) |
| InChIKey | HIEIIANYSKARKE-UHFFFAOYSA-N |
| Molecular Weight | 244.291 g/mol |
| SMILES | C(NC(C(=O)O)CC(C)C)(C(NC(=O)C)C)=O |