| SpectraBase Compound ID | CjqIoG4HF0O |
|---|---|
| InChI | InChI=1S/C7H9Cl3N2O5/c8-7(9,10)3-17-6(16)12-1-4(13)11-2-5(14)15/h1-3H2,(H,11,13)(H,12,16)(H,14,15) |
| InChIKey | XOJKMTGBNXTQOI-UHFFFAOYSA-N |
| Mol Weight | 307.52 g/mol |
| Molecular Formula | C7H9Cl3N2O5 |
| Exact Mass | 305.957704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Evfer7N1tlt |
|---|---|
| Name | N-(2,2,2-Trichloroethoxycarbonyl)-glycylglycine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.957704493 u |
| Formula | C7H9Cl3N2O5 |
| InChI | InChI=1S/C7H9Cl3N2O5/c8-7(9,10)3-17-6(16)12-1-4(13)11-2-5(14)15/h1-3H2,(H,11,13)(H,12,16)(H,14,15) |
| InChIKey | XOJKMTGBNXTQOI-UHFFFAOYSA-N |
| Molecular Weight | 307.517 g/mol |
| SMILES | C(NCC(NCC(=O)O)=O)(OCC(Cl)(Cl)Cl)=O |