| SpectraBase Compound ID | JgcfXSjZFMi |
|---|---|
| InChI | InChI=1S/C14H9Cl3O3/c1-19-12-5-3-2-4-9(12)14(18)20-13-10(16)6-8(15)7-11(13)17/h2-7H,1H3 |
| InChIKey | GGJXIBKMELMYPK-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 | Bw7qW0nGIO2 |
|---|---|
| Name | 2-Methoxybenzoic acid, 2,4,6-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/c1-19-12-5-3-2-4-9(12)14(18)20-13-10(16)6-8(15)7-11(13)17/h2-7H,1H3 |
| InChIKey | GGJXIBKMELMYPK-UHFFFAOYSA-N |
| Molecular Weight | 331.582 g/mol |
| SMILES | C1(=C(C=CC=C1)OC)C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O |