| SpectraBase Compound ID | ASAhMM8FQ7R |
|---|---|
| InChI | InChI=1S/C9H14Cl3NO4/c1-2-3-4-16-7(14)5-13-8(15)17-6-9(10,11)12/h2-6H2,1H3,(H,13,15) |
| InChIKey | UNUKOGBCZHWLEZ-UHFFFAOYSA-N |
| Mol Weight | 306.57 g/mol |
| Molecular Formula | C9H14Cl3NO4 |
| Exact Mass | 304.998841 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 701m6t3zPzr |
|---|---|
| Name | Glycine, N-(2,2,2-trichloroethoxy)carbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.998841031 u |
| Formula | C9H14Cl3NO4 |
| InChI | InChI=1S/C9H14Cl3NO4/c1-2-3-4-16-7(14)5-13-8(15)17-6-9(10,11)12/h2-6H2,1H3,(H,13,15) |
| InChIKey | UNUKOGBCZHWLEZ-UHFFFAOYSA-N |
| Molecular Weight | 306.573 g/mol |
| SMILES | C(OC(NCC(OCCCC)=O)=O)C(Cl)(Cl)Cl |