| SpectraBase Compound ID | DxxHyVR1Hag |
|---|---|
| InChI | InChI=1S/C15H28N2O5/c1-7-9(3)11(17-15(20)22-6)13(18)16-12(10(4)8-2)14(19)21-5/h9-12H,7-8H2,1-6H3,(H,16,18)(H,17,20) |
| InChIKey | WWGDVEURTYDWGX-UHFFFAOYSA-N |
| Mol Weight | 316.4 g/mol |
| Molecular Formula | C15H28N2O5 |
| Exact Mass | 316.199822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F42rLIV9eSV |
|---|---|
| Name | Methyl (methoxycarbonyl)-L-isoleucyl-L-isoleucinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.199822005 u |
| Formula | C15H28N2O5 |
| InChI | InChI=1S/C15H28N2O5/c1-7-9(3)11(17-15(20)22-6)13(18)16-12(10(4)8-2)14(19)21-5/h9-12H,7-8H2,1-6H3,(H,16,18)(H,17,20) |
| InChIKey | WWGDVEURTYDWGX-UHFFFAOYSA-N |
| Molecular Weight | 316.398 g/mol |
| SMILES | C(C(NC(C(NC(=O)OC)C(CC)C)=O)C(CC)C)(=O)OC |