| SpectraBase Compound ID | GIQEIl1zmbs |
|---|---|
| InChI | InChI=1S/C8H4Cl4O2/c9-3-8(13)14-7-2-5(11)4(10)1-6(7)12/h1-2H,3H2 |
| InChIKey | HERRLRXZMJPBFQ-UHFFFAOYSA-N |
| Mol Weight | 273.9 g/mol |
| Molecular Formula | C8H4Cl4O2 |
| Exact Mass | 271.89654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3SSfo8fEYE3 |
|---|---|
| Name | Chloroacetic acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.896540167 u |
| Formula | C8H4Cl4O2 |
| InChI | InChI=1S/C8H4Cl4O2/c9-3-8(13)14-7-2-5(11)4(10)1-6(7)12/h1-2H,3H2 |
| InChIKey | HERRLRXZMJPBFQ-UHFFFAOYSA-N |
| SMILES | C(C(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl)Cl |