| SpectraBase Compound ID | mr63tc8SaO |
|---|---|
| InChI | InChI=1S/C15H28ClNO4/c1-5-12(4)13(17-15(19)21-10-8-16)14(18)20-9-6-7-11(2)3/h11-13H,5-10H2,1-4H3,(H,17,19) |
| InChIKey | JFVZIZZTWJNDPO-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 | R4irbf6dzw |
|---|---|
| Name | L-Isoleucine, N-(2-chloroethoxycarbonyl)-, isohexyl 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/c1-5-12(4)13(17-15(19)21-10-8-16)14(18)20-9-6-7-11(2)3/h11-13H,5-10H2,1-4H3,(H,17,19) |
| InChIKey | JFVZIZZTWJNDPO-UHFFFAOYSA-N |
| Molecular Weight | 321.845 g/mol |
| SMILES | C(NC(OCCCl)=O)(C(OCCCC(C)C)=O)C(C)CC |