| SpectraBase Compound ID | K2c5AQjecvg |
|---|---|
| InChI | InChI=1S/C17H30N2O5/c1-4-6-11-23-16(21)14-9-8-10-19(14)15(20)13(3)18-17(22)24-12-7-5-2/h13-14H,4-12H2,1-3H3,(H,18,22) |
| InChIKey | ATUMGEWOANCYCW-UHFFFAOYSA-N |
| Mol Weight | 342.44 g/mol |
| Molecular Formula | C17H30N2O5 |
| Exact Mass | 342.215472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ko9ebYMPoo |
|---|---|
| Name | L-Alanyl-L-proline, N-butoxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.215472069 u |
| Formula | C17H30N2O5 |
| InChI | InChI=1S/C17H30N2O5/c1-4-6-11-23-16(21)14-9-8-10-19(14)15(20)13(3)18-17(22)24-12-7-5-2/h13-14H,4-12H2,1-3H3,(H,18,22) |
| InChIKey | ATUMGEWOANCYCW-UHFFFAOYSA-N |
| Molecular Weight | 342.436 g/mol |
| SMILES | C(COC(=O)NC(C(=O)N1CCCC1C(OCCCC)=O)C)CC |