| SpectraBase Compound ID | GgbI0QnUQ62 |
|---|---|
| InChI | InChI=1S/C12H22N2O5/c1-6-7(2)9(11(16)18-4)14-10(15)8(3)13-12(17)19-5/h7-9H,6H2,1-5H3,(H,13,17)(H,14,15) |
| InChIKey | SPJKRQKSJGVYIN-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C12H22N2O5 |
| Exact Mass | 274.152872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KyB6uNfwvVg |
|---|---|
| Name | L-Alanyl-L-isoleucine, N-methoxycarbonyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.152871811 u |
| Formula | C12H22N2O5 |
| InChI | InChI=1S/C12H22N2O5/c1-6-7(2)9(11(16)18-4)14-10(15)8(3)13-12(17)19-5/h7-9H,6H2,1-5H3,(H,13,17)(H,14,15) |
| InChIKey | SPJKRQKSJGVYIN-UHFFFAOYSA-N |
| SMILES | COC(NC(C(NC(C(CC)C)C(OC)=O)=O)C)=O |