| SpectraBase Compound ID | FEAlCJvmiPS |
|---|---|
| InChI | InChI=1S/C14H11Cl3O2S/c1-8-3-4-13(9(2)5-8)20(18,19)14-7-11(16)10(15)6-12(14)17/h3-7H,1-2H3 |
| InChIKey | SRZIDFYBPMGYIL-UHFFFAOYSA-N |
| Mol Weight | 349.66 g/mol |
| Molecular Formula | C14H11Cl3O2S |
| Exact Mass | 347.954534 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | XqPFHhAjVW |
|---|---|
| Name | 2,4,5-Trichlorophenyl 2,4-xylyl sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.954533866 u |
| Formula | C14H11Cl3O2S |
| InChI | InChI=1S/C14H11Cl3O2S/c1-8-3-4-13(9(2)5-8)20(18,19)14-7-11(16)10(15)6-12(14)17/h3-7H,1-2H3 |
| InChIKey | SRZIDFYBPMGYIL-UHFFFAOYSA-N |
| Molecular Weight | 349.659 g/mol |
| SMILES | C1=C(C(=CC=C1C)S(=O)(=O)C=1C(=CC(=C(C1)Cl)Cl)Cl)C |