| SpectraBase Compound ID | 5XlZpHzaxKe |
|---|---|
| InChI | InChI=1S/C14H8Cl4O2/c1-7-2-4-8(5-3-7)14(19)20-13-10(16)6-9(15)11(17)12(13)18/h2-6H,1H3 |
| InChIKey | SFJHLPXLDGAAAK-UHFFFAOYSA-N |
| Mol Weight | 350.0 g/mol |
| Molecular Formula | C14H8Cl4O2 |
| Exact Mass | 347.92784 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7x6zFWYlZ8i |
|---|---|
| Name | 4-Methylbenzoic acid, 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/c1-7-2-4-8(5-3-7)14(19)20-13-10(16)6-9(15)11(17)12(13)18/h2-6H,1H3 |
| InChIKey | SFJHLPXLDGAAAK-UHFFFAOYSA-N |
| Molecular Weight | 350.028 g/mol |
| SMILES | C1(=CC=C(C=C1)C)C(=O)OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl |