| SpectraBase Compound ID | 2xIVvJGV6Ef |
|---|---|
| InChI | InChI=1S/C13H20Cl3NO4/c1-2-3-4-8-20-11(18)10-6-5-7-17(10)12(19)21-9-13(14,15)16/h10H,2-9H2,1H3 |
| InChIKey | XVZXDWGOJZEZFC-UHFFFAOYSA-N |
| Mol Weight | 360.67 g/mol |
| Molecular Formula | C13H20Cl3NO4 |
| Exact Mass | 359.045791 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4f9n4qB5GQG |
|---|---|
| Name | L-Proline, N-(2,2,2-trichloroethoxy)carbonyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.045791224 u |
| Formula | C13H20Cl3NO4 |
| InChI | InChI=1S/C13H20Cl3NO4/c1-2-3-4-8-20-11(18)10-6-5-7-17(10)12(19)21-9-13(14,15)16/h10H,2-9H2,1H3 |
| InChIKey | XVZXDWGOJZEZFC-UHFFFAOYSA-N |
| Molecular Weight | 360.665 g/mol |
| SMILES | C1(N(CCC1)C(=O)OCC(Cl)(Cl)Cl)C(OCCCCC)=O |