| SpectraBase Compound ID | 4WPQIdmh2q |
|---|---|
| InChI | InChI=1S/C13H24N2O5/c1-5-9(4)11(15-13(18)20-7-3)12(17)14-8-10(16)19-6-2/h9,11H,5-8H2,1-4H3,(H,14,17)(H,15,18) |
| InChIKey | STPULJXTTBYAGY-UHFFFAOYSA-N |
| Mol Weight | 288.34 g/mol |
| Molecular Formula | C13H24N2O5 |
| Exact Mass | 288.168522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7JEpIXnzizE |
|---|---|
| Name | L-Isoleucylglycine, N-ethoxycarbonyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.168521876 u |
| Formula | C13H24N2O5 |
| InChI | InChI=1S/C13H24N2O5/c1-5-9(4)11(15-13(18)20-7-3)12(17)14-8-10(16)19-6-2/h9,11H,5-8H2,1-4H3,(H,14,17)(H,15,18) |
| InChIKey | STPULJXTTBYAGY-UHFFFAOYSA-N |
| SMILES | CCOC(NC(C(CC)C)C(NCC(OCC)=O)=O)=O |