| SpectraBase Compound ID | I0DNcakGRZo |
|---|---|
| InChI | InChI=1S/C14H25NO4/c1-5-8-10-18-13(16)12(11(4)7-3)15-14(17)19-9-6-2/h6,11-12H,2,5,7-10H2,1,3-4H3,(H,15,17) |
| InChIKey | AGGBBYORRMDCHQ-UHFFFAOYSA-N |
| Mol Weight | 271.36 g/mol |
| Molecular Formula | C14H25NO4 |
| Exact Mass | 271.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C6tPO8hDmmK |
|---|---|
| Name | L-Isoleucine, N-allyloxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.178358285 u |
| Formula | C14H25NO4 |
| InChI | InChI=1S/C14H25NO4/c1-5-8-10-18-13(16)12(11(4)7-3)15-14(17)19-9-6-2/h6,11-12H,2,5,7-10H2,1,3-4H3,(H,15,17) |
| InChIKey | AGGBBYORRMDCHQ-UHFFFAOYSA-N |
| Molecular Weight | 271.357 g/mol |
| SMILES | C=CCOC(NC(C(CC)C)C(OCCCC)=O)=O |