| SpectraBase Compound ID | 4cealnvxGdf |
|---|---|
| InChI | InChI=1S/C10H19NO4/c1-5-7(3)8(9(12)14-4)11-10(13)15-6-2/h7-8H,5-6H2,1-4H3,(H,11,13) |
| InChIKey | LWXRMBZDTHMHPL-UHFFFAOYSA-N |
| Mol Weight | 217.26 g/mol |
| Molecular Formula | C10H19NO4 |
| Exact Mass | 217.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9tR1s6E9T1A |
|---|---|
| Name | L-Isoleucine, N-ethoxycarbonyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.131408092 u |
| Formula | C10H19NO4 |
| InChI | InChI=1S/C10H19NO4/c1-5-7(3)8(9(12)14-4)11-10(13)15-6-2/h7-8H,5-6H2,1-4H3,(H,11,13) |
| InChIKey | LWXRMBZDTHMHPL-UHFFFAOYSA-N |
| Molecular Weight | 217.265 g/mol |
| SMILES | C(C(C(OC)=O)NC(OCC)=O)(CC)C |