| SpectraBase Compound ID | 39IMlxXqBNW |
|---|---|
| InChI | InChI=1S/C11H21NO4/c1-5-8(4)9(10(13)15-6-2)12-11(14)16-7-3/h8-9H,5-7H2,1-4H3,(H,12,14) |
| InChIKey | QWEPDWDDDFDYLM-UHFFFAOYSA-N |
| Mol Weight | 231.29 g/mol |
| Molecular Formula | C11H21NO4 |
| Exact Mass | 231.147058 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 | AvTHCsc71GD |
|---|---|
| Name | L-Isoleucine, N-ethoxycarbonyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.147058156 u |
| Formula | C11H21NO4 |
| InChI | InChI=1S/C11H21NO4/c1-5-8(4)9(10(13)15-6-2)12-11(14)16-7-3/h8-9H,5-7H2,1-4H3,(H,12,14) |
| InChIKey | QWEPDWDDDFDYLM-UHFFFAOYSA-N |
| Molecular Weight | 231.292 g/mol |
| SMILES | C(OC(NC(C(OCC)=O)C(CC)C)=O)C |