| SpectraBase Compound ID | 9Efxsnuktks |
|---|---|
| InChI | InChI=1S/C13H25NO4/c1-6-10(5)11(14-13(16)17-7-2)12(15)18-8-9(3)4/h9-11H,6-8H2,1-5H3,(H,14,16) |
| InChIKey | QUIYPGONSBBYDG-UHFFFAOYSA-N |
| Mol Weight | 259.35 g/mol |
| Molecular Formula | C13H25NO4 |
| Exact Mass | 259.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DmfqQwDGMIy |
|---|---|
| Name | L-Isoleucine, N-ethoxycarbonyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.178358285 u |
| Formula | C13H25NO4 |
| InChI | InChI=1S/C13H25NO4/c1-6-10(5)11(14-13(16)17-7-2)12(15)18-8-9(3)4/h9-11H,6-8H2,1-5H3,(H,14,16) |
| InChIKey | QUIYPGONSBBYDG-UHFFFAOYSA-N |
| Molecular Weight | 259.346 g/mol |
| SMILES | CCOC(NC(C(CC)C)C(OCC(C)C)=O)=O |