| SpectraBase Compound ID | BUlb6qHmsl9 |
|---|---|
| InChI | InChI=1S/C10H11Cl6NO4/c11-9(12,13)4-20-7(18)6-2-1-3-17(6)8(19)21-5-10(14,15)16/h6H,1-5H2 |
| InChIKey | PVYNIJCCLCZBOD-UHFFFAOYSA-N |
| Mol Weight | 421.9 g/mol |
| Molecular Formula | C10H11Cl6NO4 |
| Exact Mass | 418.881924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZJXxh9IPiq |
|---|---|
| Name | L-Proline, N-(2,2,2-trichloroethoxy)carbonyl-, 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.881924034 u |
| Formula | C10H11Cl6NO4 |
| InChI | InChI=1S/C10H11Cl6NO4/c11-9(12,13)4-20-7(18)6-2-1-3-17(6)8(19)21-5-10(14,15)16/h6H,1-5H2 |
| InChIKey | PVYNIJCCLCZBOD-UHFFFAOYSA-N |
| Molecular Weight | 421.919 g/mol |
| SMILES | C1(N(CCC1)C(=O)OCC(Cl)(Cl)Cl)C(OCC(Cl)(Cl)Cl)=O |