| SpectraBase Compound ID | 2zdpJ4tyWRR |
|---|---|
| InChI | InChI=1S/C14H9Cl3O3/c1-19-9-4-2-8(3-5-9)14(18)20-13-7-11(16)10(15)6-12(13)17/h2-7H,1H3 |
| InChIKey | IGWHCSIAKZETGT-UHFFFAOYSA-N |
| Mol Weight | 331.58 g/mol |
| Molecular Formula | C14H9Cl3O3 |
| Exact Mass | 329.961727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EF2FM3tgUbp |
|---|---|
| Name | 4-Methoxybenzoic acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.961727247 u |
| Formula | C14H9Cl3O3 |
| InChI | InChI=1S/C14H9Cl3O3/c1-19-9-4-2-8(3-5-9)14(18)20-13-7-11(16)10(15)6-12(13)17/h2-7H,1H3 |
| InChIKey | IGWHCSIAKZETGT-UHFFFAOYSA-N |
| Molecular Weight | 331.582 g/mol |
| SMILES | C1(=CC(Cl)=C(C=C1Cl)OC(C1=CC=C(C=C1)OC)=O)Cl |