| SpectraBase Compound ID | 33csF4rz9q3 |
|---|---|
| InChI | InChI=1S/C14H26N2O5/c1-6-9(4)11(16-14(19)21-8-3)12(17)15-10(5)13(18)20-7-2/h9-11H,6-8H2,1-5H3,(H,15,17)(H,16,19) |
| InChIKey | CIRSDPZENCVFSU-UHFFFAOYSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C14H26N2O5 |
| Exact Mass | 302.184172 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rFL2cEtCxl |
|---|---|
| Name | L-Isoleucyl-L-alanine, N-ethoxycarbonyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.184171940 u |
| Formula | C14H26N2O5 |
| InChI | InChI=1S/C14H26N2O5/c1-6-9(4)11(16-14(19)21-8-3)12(17)15-10(5)13(18)20-7-2/h9-11H,6-8H2,1-5H3,(H,15,17)(H,16,19) |
| InChIKey | CIRSDPZENCVFSU-UHFFFAOYSA-N |
| Molecular Weight | 302.371 g/mol |
| SMILES | CCOC(=O)NC(C(CC)C)C(NC(C(OCC)=O)C)=O |