| SpectraBase Compound ID | 1w6XPngeiY5 |
|---|---|
| InChI | InChI=1S/C14H8Cl4O2/c1-7-3-2-4-8(5-7)14(19)20-13-10(16)6-9(15)11(17)12(13)18/h2-6H,1H3 |
| InChIKey | QZOPQAMVANOJJE-UHFFFAOYSA-N |
| Mol Weight | 350.0 g/mol |
| Molecular Formula | C14H8Cl4O2 |
| Exact Mass | 347.92784 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5L5rMrs6BiI |
|---|---|
| Name | Benzoic acid, 3-methyl-, 2,3,4,6-tetrachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.927840296 u |
| Formula | C14H8Cl4O2 |
| InChI | InChI=1S/C14H8Cl4O2/c1-7-3-2-4-8(5-7)14(19)20-13-10(16)6-9(15)11(17)12(13)18/h2-6H,1H3 |
| InChIKey | QZOPQAMVANOJJE-UHFFFAOYSA-N |
| Molecular Weight | 350.028 g/mol |
| SMILES | C1=CC=C(C=C1C)C(=O)OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl |