| SpectraBase Compound ID | 6WLNZTO4lDe |
|---|---|
| InChI | InChI=1S/C13H6Cl4O2/c14-8-4-2-1-3-7(8)13(18)19-12-6-10(16)9(15)5-11(12)17/h1-6H |
| InChIKey | WJBRLTCUKHJWLX-UHFFFAOYSA-N |
| Mol Weight | 336.0 g/mol |
| Molecular Formula | C13H6Cl4O2 |
| Exact Mass | 333.91219 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J0O4dXbtQzR |
|---|---|
| Name | 2-Chlorobenzoic acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.912190231 u |
| Formula | C13H6Cl4O2 |
| InChI | InChI=1S/C13H6Cl4O2/c14-8-4-2-1-3-7(8)13(18)19-12-6-10(16)9(15)5-11(12)17/h1-6H |
| InChIKey | WJBRLTCUKHJWLX-UHFFFAOYSA-N |
| Molecular Weight | 336.001 g/mol |
| SMILES | C1(=CC(Cl)=C(C=C1Cl)OC(C1=C(C=CC=C1)Cl)=O)Cl |