| SpectraBase Compound ID | JSh0bdfU5nv |
|---|---|
| InChI | InChI=1S/C13H24ClNO4/c1-4-6-8-18-12(16)11(10(3)5-2)15-13(17)19-9-7-14/h10-11H,4-9H2,1-3H3,(H,15,17) |
| InChIKey | JGRULMFPYHIWLT-UHFFFAOYSA-N |
| Mol Weight | 293.79 g/mol |
| Molecular Formula | C13H24ClNO4 |
| Exact Mass | 293.139386 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KEiUM3aN47u |
|---|---|
| Name | L-Isoleucine, N-(2-chloroethoxycarbonyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.139385953 u |
| Formula | C13H24ClNO4 |
| InChI | InChI=1S/C13H24ClNO4/c1-4-6-8-18-12(16)11(10(3)5-2)15-13(17)19-9-7-14/h10-11H,4-9H2,1-3H3,(H,15,17) |
| InChIKey | JGRULMFPYHIWLT-UHFFFAOYSA-N |
| Molecular Weight | 293.791 g/mol |
| SMILES | CCCCOC(C(NC(OCCCl)=O)C(C)CC)=O |