| SpectraBase Compound ID | AZwUNIfrosu |
|---|---|
| InChI | InChI=1S/C17H33NO5/c1-5-7-8-9-10-11-22-16(19)15(14(3)6-2)18-17(20)23-13-12-21-4/h14-15H,5-13H2,1-4H3,(H,18,20) |
| InChIKey | INLJYOVNULKJMP-UHFFFAOYSA-N |
| Mol Weight | 331.5 g/mol |
| Molecular Formula | C17H33NO5 |
| Exact Mass | 331.235873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8D33zl4WGUJ |
|---|---|
| Name | L-Isoleucine, N-(2-methoxyethoxycarbonyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.235873162 u |
| Formula | C17H33NO5 |
| InChI | InChI=1S/C17H33NO5/c1-5-7-8-9-10-11-22-16(19)15(14(3)6-2)18-17(20)23-13-12-21-4/h14-15H,5-13H2,1-4H3,(H,18,20) |
| InChIKey | INLJYOVNULKJMP-UHFFFAOYSA-N |
| Molecular Weight | 331.453 g/mol |
| SMILES | CCCCCCCOC(C(NC(OCCOC)=O)C(C)CC)=O |