| SpectraBase Compound ID | 77RJZef8BjN |
|---|---|
| InChI | InChI=1S/C15H28ClNO4/c1-11(2)7-6-9-20-14(18)13(12(3)4)17(5)15(19)21-10-8-16/h11-13H,6-10H2,1-5H3 |
| InChIKey | DOCZZIVKRDUFPK-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 | A1wOaslA1ad |
|---|---|
| Name | Valine, N-methyl-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/c1-11(2)7-6-9-20-14(18)13(12(3)4)17(5)15(19)21-10-8-16/h11-13H,6-10H2,1-5H3 |
| InChIKey | DOCZZIVKRDUFPK-UHFFFAOYSA-N |
| Molecular Weight | 321.845 g/mol |
| SMILES | CC(C)CCCOC(C(N(C(OCCCl)=O)C)C(C)C)=O |