| SpectraBase Compound ID | IVODptIKBbx |
|---|---|
| InChI | InChI=1S/C13H25NO6/c1-5-10(2)11(12(15)19-8-6-17-3)14-13(16)20-9-7-18-4/h10-11H,5-9H2,1-4H3,(H,14,16) |
| InChIKey | IEYCSBSINAZTLH-UHFFFAOYSA-N |
| Mol Weight | 291.34 g/mol |
| Molecular Formula | C13H25NO6 |
| Exact Mass | 291.168188 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DnJyoOKqS0s |
|---|---|
| Name | L-Isoleucine, N-(2-methoxyethoxycarbonyl)-, 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.168187523 u |
| Formula | C13H25NO6 |
| InChI | InChI=1S/C13H25NO6/c1-5-10(2)11(12(15)19-8-6-17-3)14-13(16)20-9-7-18-4/h10-11H,5-9H2,1-4H3,(H,14,16) |
| InChIKey | IEYCSBSINAZTLH-UHFFFAOYSA-N |
| SMILES | C(OC(C(NC(OCCOC)=O)C(C)CC)=O)COC |