| SpectraBase Compound ID | Bmse2WVRwzb |
|---|---|
| InChI | InChI=1S/C8H4Cl4O2/c9-5-2-1-4(3-6(5)10)14-8(13)7(11)12/h1-3,7H |
| InChIKey | VEVXIXJKVRAVCE-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 | KyszGUnKRwK |
|---|---|
| Name | Dichloroacetic acid, 3,4-dichlorophenyl 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/c9-5-2-1-4(3-6(5)10)14-8(13)7(11)12/h1-3,7H |
| InChIKey | VEVXIXJKVRAVCE-UHFFFAOYSA-N |
| SMILES | C(Cl)(C(OC1=CC(=C(C=C1)Cl)Cl)=O)Cl |