| SpectraBase Compound ID | 90b9zbQJS7E |
|---|---|
| InChI | InChI=1S/C12H22N2O5/c1-5-6-7-9(11(16)18-3)14-10(15)8(2)13-12(17)19-4/h8-9H,5-7H2,1-4H3,(H,13,17)(H,14,15) |
| InChIKey | KTRUCDUHYCFIBT-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 | FLYJ0NoN3Cl |
|---|---|
| Name | L-ala-L-nle, 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/c1-5-6-7-9(11(16)18-3)14-10(15)8(2)13-12(17)19-4/h8-9H,5-7H2,1-4H3,(H,13,17)(H,14,15) |
| InChIKey | KTRUCDUHYCFIBT-UHFFFAOYSA-N |
| Molecular Weight | 274.317 g/mol |
| SMILES | C(C(NC(=O)C(C)NC(OC)=O)C(=O)OC)CCC |