| SpectraBase Compound ID | AeHldLWI8oG |
|---|---|
| InChI | InChI=1S/C13H25NO4/c1-5-8-9-18-12(15)11(10(4)6-2)14-13(16)17-7-3/h10-11H,5-9H2,1-4H3,(H,14,16) |
| InChIKey | ITCYOEHHBLEQRC-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 | CsDTnmTeU7L |
|---|---|
| Name | L-Isoleucine, N-ethoxycarbonyl-, butyl 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/c1-5-8-9-18-12(15)11(10(4)6-2)14-13(16)17-7-3/h10-11H,5-9H2,1-4H3,(H,14,16) |
| InChIKey | ITCYOEHHBLEQRC-UHFFFAOYSA-N |
| Molecular Weight | 259.346 g/mol |
| SMILES | CCOC(NC(C(CC)C)C(OCCCC)=O)=O |