| SpectraBase Compound ID | GmJPaqgcir0 |
|---|---|
| InChI | InChI=1S/C18H34N2O5/c1-7-9-11-13-24-17(22)15(4)19(5)16(21)14(3)20(6)18(23)25-12-10-8-2/h14-15H,7-13H2,1-6H3 |
| InChIKey | UTQPBBKHLWGFAO-UHFFFAOYSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C18H34N2O5 |
| Exact Mass | 358.246772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FbUf6WnmOOx |
|---|---|
| Name | Alanylalanine, N,N'-dimethyl-N'-butoxycarbonyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.246772198 u |
| Formula | C18H34N2O5 |
| InChI | InChI=1S/C18H34N2O5/c1-7-9-11-13-24-17(22)15(4)19(5)16(21)14(3)20(6)18(23)25-12-10-8-2/h14-15H,7-13H2,1-6H3 |
| InChIKey | UTQPBBKHLWGFAO-UHFFFAOYSA-N |
| Molecular Weight | 358.479 g/mol |
| SMILES | CCCCOC(N(C(C(N(C(C(OCCCCC)=O)C)C)=O)C)C)=O |