| SpectraBase Compound ID | 1KyCF4nYLCY |
|---|---|
| InChI | InChI=1S/C11H18N2O5/c1-3-18-11(17)12-7(2)9(14)13-6-4-5-8(13)10(15)16/h7-8H,3-6H2,1-2H3,(H,12,17)(H,15,16) |
| InChIKey | KNGYEPOMEYFPTG-UHFFFAOYSA-N |
| Mol Weight | 258.27 g/mol |
| Molecular Formula | C11H18N2O5 |
| Exact Mass | 258.121572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IhIbxhfSwBX |
|---|---|
| Name | ala-pro, N-Ethoxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.121571683 u |
| Formula | C11H18N2O5 |
| InChI | InChI=1S/C11H18N2O5/c1-3-18-11(17)12-7(2)9(14)13-6-4-5-8(13)10(15)16/h7-8H,3-6H2,1-2H3,(H,12,17)(H,15,16) |
| InChIKey | KNGYEPOMEYFPTG-UHFFFAOYSA-N |
| Molecular Weight | 258.274 g/mol |
| SMILES | C(=O)(C(NC(OCC)=O)C)N1C(C(=O)O)CCC1 |