| SpectraBase Compound ID | Lu4qLMR2Tf3 |
|---|---|
| InChI | InChI=1S/C16H30N2O5/c1-6-9-22-15(20)13(11(4)8-3)18-14(19)12(5)17-16(21)23-10-7-2/h11-13H,6-10H2,1-5H3,(H,17,21)(H,18,19) |
| InChIKey | GSFOIWPJAMLKJV-UHFFFAOYSA-N |
| Mol Weight | 330.43 g/mol |
| Molecular Formula | C16H30N2O5 |
| Exact Mass | 330.215472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IRxKizySsTO |
|---|---|
| Name | L-Alanyl-L-isoleucine, N-propoxycarbonyl-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.215472069 u |
| Formula | C16H30N2O5 |
| InChI | InChI=1S/C16H30N2O5/c1-6-9-22-15(20)13(11(4)8-3)18-14(19)12(5)17-16(21)23-10-7-2/h11-13H,6-10H2,1-5H3,(H,17,21)(H,18,19) |
| InChIKey | GSFOIWPJAMLKJV-UHFFFAOYSA-N |
| Molecular Weight | 330.425 g/mol |
| SMILES | CCCOC(NC(C(NC(C(CC)C)C(OCCC)=O)=O)C)=O |