| SpectraBase Compound ID | 4Oh5QiuBabJ |
|---|---|
| InChI | InChI=1S/C15H28ClNO4/c1-4-6-7-8-10-20-14(18)13(12(3)5-2)17-15(19)21-11-9-16/h12-13H,4-11H2,1-3H3,(H,17,19) |
| InChIKey | AHUZZJRAYLHZDB-UHFFFAOYSA-N |
| Mol Weight | 321.85 g/mol |
| Molecular Formula | C15H28ClNO4 |
| Exact Mass | 321.170686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BDqSrNzTMDx |
|---|---|
| Name | L-Isoleucine, N-(2-chloroethoxycarbonyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.170686082 u |
| Formula | C15H28ClNO4 |
| InChI | InChI=1S/C15H28ClNO4/c1-4-6-7-8-10-20-14(18)13(12(3)5-2)17-15(19)21-11-9-16/h12-13H,4-11H2,1-3H3,(H,17,19) |
| InChIKey | AHUZZJRAYLHZDB-UHFFFAOYSA-N |
| Molecular Weight | 321.845 g/mol |
| SMILES | CCCCCCOC(C(NC(OCCCl)=O)C(C)CC)=O |