| SpectraBase Compound ID | 7pasSDnqPhI |
|---|---|
| InChI | InChI=1S/C13H21NO4/c1-5-8-17-12(15)11(10(4)7-3)14-13(16)18-9-6-2/h5-6,10-11H,1-2,7-9H2,3-4H3,(H,14,16) |
| InChIKey | SEYUFVSXTOLZBE-UHFFFAOYSA-N |
| Mol Weight | 255.31 g/mol |
| Molecular Formula | C13H21NO4 |
| Exact Mass | 255.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Eo8ibJvXVH |
|---|---|
| Name | L-Isoleucine, N-allyloxycarbonyl-, allyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.147058156 u |
| Formula | C13H21NO4 |
| InChI | InChI=1S/C13H21NO4/c1-5-8-17-12(15)11(10(4)7-3)14-13(16)18-9-6-2/h5-6,10-11H,1-2,7-9H2,3-4H3,(H,14,16) |
| InChIKey | SEYUFVSXTOLZBE-UHFFFAOYSA-N |
| Molecular Weight | 255.314 g/mol |
| SMILES | C=CCOC(NC(C(C)CC)C(OCC=C)=O)=O |