| SpectraBase Compound ID | BoESNEeOIDf |
|---|---|
| InChI | InChI=1S/C8H12Cl3NO4/c1-2-3-15-6(13)4-12-7(14)16-5-8(9,10)11/h2-5H2,1H3,(H,12,14) |
| InChIKey | IJWDWDSCWPXZNF-UHFFFAOYSA-N |
| Mol Weight | 292.55 g/mol |
| Molecular Formula | C8H12Cl3NO4 |
| Exact Mass | 290.983191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KNVE6FunyCS |
|---|---|
| Name | Glycine, N-(2,2,2-trichloroethoxy)carbonyl-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.983190966 u |
| Formula | C8H12Cl3NO4 |
| InChI | InChI=1S/C8H12Cl3NO4/c1-2-3-15-6(13)4-12-7(14)16-5-8(9,10)11/h2-5H2,1H3,(H,12,14) |
| InChIKey | IJWDWDSCWPXZNF-UHFFFAOYSA-N |
| Molecular Weight | 292.546 g/mol |
| SMILES | C(OC(NCC(OCCC)=O)=O)C(Cl)(Cl)Cl |