| SpectraBase Compound ID | 6ZqiHbTSpNS |
|---|---|
| InChI | InChI=1S/C11H22N2O4/c1-6(2)5-8(12)10(14)13-9(11(15)16)7(3)17-4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16) |
| InChIKey | BIKGACINNSOHFH-UHFFFAOYSA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C11H22N2O4 |
| Exact Mass | 246.157957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IcEneX7Fw7j |
|---|---|
| Name | L-Leucyl-L-o-methylthreonine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.157957192 u |
| Formula | C11H22N2O4 |
| InChI | InChI=1S/C11H22N2O4/c1-6(2)5-8(12)10(14)13-9(11(15)16)7(3)17-4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16) |
| InChIKey | BIKGACINNSOHFH-UHFFFAOYSA-N |
| Molecular Weight | 246.307 g/mol |
| SMILES | CC(CC(C(NC(C(O)=O)C(OC)C)=O)N)C |