| SpectraBase Compound ID | 4IfGy2nJH90 |
|---|---|
| InChI | InChI=1S/C19H36ClNO4/c1-4-6-7-8-9-10-11-12-14-24-18(22)17(16(3)5-2)21-19(23)25-15-13-20/h16-17H,4-15H2,1-3H3,(H,21,23) |
| InChIKey | DSHCLUJHWHRCGU-UHFFFAOYSA-N |
| Mol Weight | 378.0 g/mol |
| Molecular Formula | C19H36ClNO4 |
| Exact Mass | 377.233286 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DKsJcgDiPNM |
|---|---|
| Name | L-Isoleucine, N-(2-chloroethoxycarbonyl)-, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 377.233286339 u |
| Formula | C19H36ClNO4 |
| InChI | InChI=1S/C19H36ClNO4/c1-4-6-7-8-9-10-11-12-14-24-18(22)17(16(3)5-2)21-19(23)25-15-13-20/h16-17H,4-15H2,1-3H3,(H,21,23) |
| InChIKey | DSHCLUJHWHRCGU-UHFFFAOYSA-N |
| Molecular Weight | 377.953 g/mol |
| SMILES | C(NC(OCCCl)=O)(C(OCCCCCCCCCC)=O)C(C)CC |