| SpectraBase Compound ID | BfwZA8Smilf |
|---|---|
| InChI | InChI=1S/C14H26N2O5/c1-6-9(4)11(13(18)20-7-2)16-12(17)10(5)15-14(19)21-8-3/h9-11H,6-8H2,1-5H3,(H,15,19)(H,16,17) |
| InChIKey | YMOCVRQGWYCQNQ-UHFFFAOYSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C14H26N2O5 |
| Exact Mass | 302.184172 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6V5eRFz0XaF |
|---|---|
| Name | L-Alanyl-L-isoleucine, N-ethoxycarbonyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.184171940 u |
| Formula | C14H26N2O5 |
| InChI | InChI=1S/C14H26N2O5/c1-6-9(4)11(13(18)20-7-2)16-12(17)10(5)15-14(19)21-8-3/h9-11H,6-8H2,1-5H3,(H,15,19)(H,16,17) |
| InChIKey | YMOCVRQGWYCQNQ-UHFFFAOYSA-N |
| Molecular Weight | 302.371 g/mol |
| SMILES | CCOC(=O)NC(C)C(NC(C(OCC)=O)C(C)CC)=O |