| SpectraBase Compound ID | 8FvdVPFJre4 |
|---|---|
| InChI | InChI=1S/C12H20ClNO4/c1-2-3-8-17-11(15)10-5-4-7-14(10)12(16)18-9-6-13/h10H,2-9H2,1H3 |
| InChIKey | MCMTVHKITJYGJI-UHFFFAOYSA-N |
| Mol Weight | 277.75 g/mol |
| Molecular Formula | C12H20ClNO4 |
| Exact Mass | 277.108086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 49d8GPs4Jrs |
|---|---|
| Name | D-Proline, N-(2-chloroethoxycarbonyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.108085824 u |
| Formula | C12H20ClNO4 |
| InChI | InChI=1S/C12H20ClNO4/c1-2-3-8-17-11(15)10-5-4-7-14(10)12(16)18-9-6-13/h10H,2-9H2,1H3 |
| InChIKey | MCMTVHKITJYGJI-UHFFFAOYSA-N |
| SMILES | C1CCC(N1C(=O)OCCCl)C(=O)OCCCC |