| SpectraBase Compound ID | 8Jlh1rBVuGN |
|---|---|
| InChI | InChI=1S/C11H19Cl2NO4/c1-3-8(2)9(10(15)17-6-4-12)14-11(16)18-7-5-13/h8-9H,3-7H2,1-2H3,(H,14,16) |
| InChIKey | FKNYIWHCYSPPPA-UHFFFAOYSA-N |
| Mol Weight | 300.18 g/mol |
| Molecular Formula | C11H19Cl2NO4 |
| Exact Mass | 299.069113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | mzFIyyHhiI |
|---|---|
| Name | L-Isoleucine, N-(2-chloroethoxycarbonyl)-, 2-chloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.069113492 u |
| Formula | C11H19Cl2NO4 |
| InChI | InChI=1S/C11H19Cl2NO4/c1-3-8(2)9(10(15)17-6-4-12)14-11(16)18-7-5-13/h8-9H,3-7H2,1-2H3,(H,14,16) |
| InChIKey | FKNYIWHCYSPPPA-UHFFFAOYSA-N |
| SMILES | C(COC(C(NC(OCCCl)=O)C(CC)C)=O)Cl |