| SpectraBase Compound ID | KTm4kTQl48M |
|---|---|
| InChI | InChI=1S/C11H5Cl3O2S/c12-6-4-7(13)10(8(14)5-6)16-11(15)9-2-1-3-17-9/h1-5H |
| InChIKey | WUPAVVNXRXVLQN-UHFFFAOYSA-N |
| Mol Weight | 307.58 g/mol |
| Molecular Formula | C11H5Cl3O2S |
| Exact Mass | 305.907584 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 67JdXMhUe2Q |
|---|---|
| Name | Thiophene-2-carboxylic acid, 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.907583673 u |
| Formula | C11H5Cl3O2S |
| InChI | InChI=1S/C11H5Cl3O2S/c12-6-4-7(13)10(8(14)5-6)16-11(15)9-2-1-3-17-9/h1-5H |
| InChIKey | WUPAVVNXRXVLQN-UHFFFAOYSA-N |
| Molecular Weight | 307.578 g/mol |
| SMILES | C1(=CC=CS1)C(=O)OC1=C(C=C(C=C1Cl)Cl)Cl |