| SpectraBase Compound ID | 3pCWsCJR6dn |
|---|---|
| InChI | InChI=1S/C19H36ClNO4/c1-5-6-7-8-9-10-11-12-14-24-18(22)17(16(2)3)21(4)19(23)25-15-13-20/h16-17H,5-15H2,1-4H3 |
| InChIKey | BEMZANNQPYWJKS-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 | 2rjc7RloUBA |
|---|---|
| Name | Valine, N-methyl-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/c1-5-6-7-8-9-10-11-12-14-24-18(22)17(16(2)3)21(4)19(23)25-15-13-20/h16-17H,5-15H2,1-4H3 |
| InChIKey | BEMZANNQPYWJKS-UHFFFAOYSA-N |
| Molecular Weight | 377.953 g/mol |
| SMILES | CCCCCCCCCCOC(C(N(C(OCCCl)=O)C)C(C)C)=O |