![2-{{2-[(p-chlorophenyl)sulfonyl]ethyl}thio}ethanol, 3,5-dichlorobenzoate](/api/spectrum/1WAvUTUyIPf/structure.png?h=300&w=458 "2-{{2-[(p-chlorophenyl)sulfonyl]ethyl}thio}ethanol, 3,5-dichlorobenzoate")
| SpectraBase Compound ID | BgRRCWdopNw |
|---|---|
| InChI | InChI=1S/C17H15Cl3O4S2/c18-13-1-3-16(4-2-13)26(22,23)8-7-25-6-5-24-17(21)12-9-14(19)11-15(20)10-12/h1-4,9-11H,5-8H2 |
| InChIKey | GRZHWGYIUZOAFY-UHFFFAOYSA-N |
| Mol Weight | 453.78 g/mol |
| Molecular Formula | C17H15Cl3O4S2 |
| Exact Mass | 451.947734 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1WAvUTUyIPf |
|---|---|
| Name | 2-{{2-[(p-chlorophenyl)sulfonyl]ethyl}thio}ethanol, 3,5-dichlorobenzoate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H15Cl3O4S2 |
| InChI | InChI=1S/C17H15Cl3O4S2/c18-13-1-3-16(4-2-13)26(22,23)8-7-25-6-5-24-17(21)12-9-14(19)11-15(20)10-12/h1-4,9-11H,5-8H2 |
| InChIKey | GRZHWGYIUZOAFY-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 55798M |
| Solvent | CDCl3 |