| SpectraBase Compound ID | 6BLzh81rGcl |
|---|---|
| InChI | InChI=1S/C12H22ClNO3/c1-3-4-9-17-12(16)10(2)14-11(15)7-5-6-8-13/h10H,3-9H2,1-2H3,(H,14,15) |
| InChIKey | FSJRFDUSDJCEDT-UHFFFAOYSA-N |
| Mol Weight | 263.76 g/mol |
| Molecular Formula | C12H22ClNO3 |
| Exact Mass | 263.128821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cy5ngpma |
|---|---|
| Name | D-Alanine, N-(5-chlorovaleryl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.128821269 u |
| Formula | C12H22ClNO3 |
| InChI | InChI=1S/C12H22ClNO3/c1-3-4-9-17-12(16)10(2)14-11(15)7-5-6-8-13/h10H,3-9H2,1-2H3,(H,14,15) |
| InChIKey | FSJRFDUSDJCEDT-UHFFFAOYSA-N |
| SMILES | CC(NC(=O)CCCCCl)C(OCCCC)=O |