| SpectraBase Compound ID | 2brPCAY6fWe |
|---|---|
| InChI | InChI=1S/C14H9Cl3O2/c1-8-2-4-9(5-3-8)14(18)19-13-11(16)6-10(15)7-12(13)17/h2-7H,1H3 |
| InChIKey | IHHKHKHXJVOHHL-UHFFFAOYSA-N |
| Mol Weight | 315.58 g/mol |
| Molecular Formula | C14H9Cl3O2 |
| Exact Mass | 313.966813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1MfojCzML0T |
|---|---|
| Name | 4-Methylbenzoic acid, 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.966812628 u |
| Formula | C14H9Cl3O2 |
| InChI | InChI=1S/C14H9Cl3O2/c1-8-2-4-9(5-3-8)14(18)19-13-11(16)6-10(15)7-12(13)17/h2-7H,1H3 |
| InChIKey | IHHKHKHXJVOHHL-UHFFFAOYSA-N |
| Molecular Weight | 315.583 g/mol |
| SMILES | C1=C(C=CC(=C1)C)C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O |