| SpectraBase Compound ID | 3KSP4LrCQA7 |
|---|---|
| InChI | InChI=1S/C14H9Cl3O2/c1-8-3-2-4-9(5-8)14(18)19-13-7-11(16)10(15)6-12(13)17/h2-7H,1H3 |
| InChIKey | QEBNUZOWHGZGMX-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 | 6lb4xDEVoJP |
|---|---|
| Name | Benzoic acid, 3-methyl-, 2,4,5-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/c1-8-3-2-4-9(5-8)14(18)19-13-7-11(16)10(15)6-12(13)17/h2-7H,1H3 |
| InChIKey | QEBNUZOWHGZGMX-UHFFFAOYSA-N |
| Molecular Weight | 315.583 g/mol |
| SMILES | C1=CC=C(C=C1C)C(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl |